127043376 -OEChem-09272320542D 179183 0 1 0 0 0 0 0999 V2000 21.4868 7.7208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 24.0849 3.2208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4251 -3.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -3.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5104 3.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7548 3.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -1.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 -0.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0214 -2.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4494 1.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3529 6.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9020 0.6947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4983 0.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2904 -0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9603 -4.8141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -3.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8888 5.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -5.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3272 -2.5488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8162 3.5269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4868 4.7208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4372 -0.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9141 2.9089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8041 1.3127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0849 5.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4157 2.0329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7587 4.9903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2369 5.6484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8805 3.6802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7215 2.3930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -5.2208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1513 -6.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1294 -6.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6294 -5.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9752 4.8141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1682 -3.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -4.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1193 -3.5269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3061 5.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -2.2263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8061 6.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -4.7208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7842 6.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -3.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8624 -4.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7673 3.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7548 4.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6208 5.2208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8135 -3.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6545 -5.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6083 2.5488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2783 -2.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6208 6.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -6.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3515 1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4862 -1.2616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1436 0.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6573 2.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7430 -0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4868 6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 -6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8867 0.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1925 0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9509 0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3529 5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9631 2.5999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6451 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5962 0.3346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.2189 4.7208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4487 -7.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 -7.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2199 3.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7552 1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2078 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -8.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3393 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2189 3.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4278 4.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3529 8.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3414 4.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2587 5.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6726 2.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -4.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5313 -6.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0865 -6.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9379 -7.0129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6958 -6.6754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1310 -5.9217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0443 -5.0965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4570 4.4239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7090 -3.3353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8045 5.9217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8912 5.0965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 -2.4485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9977 7.0129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2397 6.6754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -4.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4042 6.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8490 6.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 -1.4287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -1.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -3.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -4.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -2.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2728 -4.3876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -5.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3706 -4.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 -5.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8664 -2.1339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6208 4.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0051 -4.4767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4031 -3.6954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6219 -3.2974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0481 -5.0453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5256 -5.7807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2610 -5.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1476 2.9636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3555 3.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4088 6.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0102 6.1132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9263 1.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6800 2.4054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6151 -0.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6828 1.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4868 4.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1682 -0.3602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4145 -1.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6989 6.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0974 6.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -6.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 -6.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8980 -1.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6331 -1.4513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0430 3.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4718 -0.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3475 -0.1825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3016 0.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0009 1.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6029 0.4009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3841 0.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5258 0.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2795 0.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0920 3.2063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1859 0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7558 4.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -8.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 -8.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6451 3.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8914 2.7432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6329 1.2870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 0.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -8.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3434 1.7276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8508 -0.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6304 -0.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6083 3.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0068 3.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6218 4.9108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0849 5.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6629 7.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8898 8.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0429 8.7578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1421 4.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8783 4.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7511 -0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0849 2.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0065 6.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4197 4.0951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4701 3.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2608 2.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5926 1.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 66 1 0 0 0 0 1 86 1 0 0 0 0 2 84 1 0 0 0 0 2174 1 0 0 0 0 3 37 2 0 0 0 0 4 38 2 0 0 0 0 5 49 2 0 0 0 0 6 51 2 0 0 0 0 7 52 2 0 0 0 0 8 56 1 0 0 0 0 8141 1 0 0 0 0 9 56 2 0 0 0 0 10 58 2 0 0 0 0 11 64 2 0 0 0 0 12 72 2 0 0 0 0 13 74 2 0 0 0 0 14 80 2 0 0 0 0 15 83 1 0 0 0 0 15173 1 0 0 0 0 16 32 1 0 0 0 0 16 35 1 0 0 0 0 16 37 1 0 0 0 0 17 41 1 0 0 0 0 17 46 1 0 0 0 0 17 49 1 0 0 0 0 18 36 1 0 0 0 0 18 44 1 0 0 0 0 18 52 1 0 0 0 0 19 38 1 0 0 0 0 43 19 1 1 0 0 0 19114 1 0 0 0 0 39 20 1 1 0 0 0 20 58 1 0 0 0 0 20117 1 0 0 0 0 21 51 1 0 0 0 0 57 21 1 1 0 0 0 21126 1 0 0 0 0 53 22 1 6 0 0 0 22 72 1 0 0 0 0 22133 1 0 0 0 0 62 23 1 6 0 0 0 23 74 1 0 0 0 0 23140 1 0 0 0 0 24 64 1 0 0 0 0 73 24 1 6 0 0 0 24142 1 0 0 0 0 75 25 1 1 0 0 0 25 80 1 0 0 0 0 25161 1 0 0 0 0 76 26 1 1 0 0 0 26166 1 0 0 0 0 26167 1 0 0 0 0 27 81 1 0 0 0 0 27 89 2 0 0 0 0 28 85 1 0 0 0 0 28 88 1 0 0 0 0 28171 1 0 0 0 0 29 87 1 0 0 0 0 29 88 2 0 0 0 0 30 89 1 0 0 0 0 30176 1 0 0 0 0 30177 1 0 0 0 0 31 89 1 0 0 0 0 31178 1 0 0 0 0 31179 1 0 0 0 0 32 33 1 0 0 0 0 32 38 1 1 0 0 0 32 90 1 0 0 0 0 33 34 1 0 0 0 0 33 91 1 0 0 0 0 33 92 1 0 0 0 0 34 35 1 0 0 0 0 34 93 1 0 0 0 0 34 94 1 0 0 0 0 35 95 1 0 0 0 0 35 96 1 0 0 0 0 36 40 1 0 0 0 0 36 51 1 6 0 0 0 36 97 1 0 0 0 0 37 39 1 0 0 0 0 39 48 1 0 0 0 0 39 98 1 0 0 0 0 40 42 1 0 0 0 0 40 99 1 0 0 0 0 40100 1 0 0 0 0 41 45 1 0 0 0 0 41 56 1 1 0 0 0 41101 1 0 0 0 0 42 44 1 0 0 0 0 42102 1 0 0 0 0 42103 1 0 0 0 0 43 49 1 0 0 0 0 43 50 1 0 0 0 0 43104 1 0 0 0 0 44105 1 0 0 0 0 44106 1 0 0 0 0 45 47 1 0 0 0 0 45107 1 0 0 0 0 45108 1 0 0 0 0 46 47 1 0 0 0 0 46109 1 0 0 0 0 46110 1 0 0 0 0 47111 1 0 0 0 0 47112 1 0 0 0 0 48 54 1 0 0 0 0 48 55 1 0 0 0 0 48113 1 0 0 0 0 50 60 1 0 0 0 0 50115 1 0 0 0 0 50116 1 0 0 0 0 52 53 1 0 0 0 0 53 59 1 0 0 0 0 53118 1 0 0 0 0 54119 1 0 0 0 0 54120 1 0 0 0 0 54121 1 0 0 0 0 55122 1 0 0 0 0 55123 1 0 0 0 0 55124 1 0 0 0 0 57 61 1 0 0 0 0 57 64 1 0 0 0 0 57125 1 0 0 0 0 58 62 1 0 0 0 0 59 66 1 0 0 0 0 59127 1 0 0 0 0 59128 1 0 0 0 0 60 67 2 0 0 0 0 60 68 1 0 0 0 0 61 63 1 0 0 0 0 61129 1 0 0 0 0 61130 1 0 0 0 0 62 65 1 0 0 0 0 62131 1 0 0 0 0 63 69 1 0 0 0 0 63 70 1 0 0 0 0 63132 1 0 0 0 0 65 71 1 0 0 0 0 65134 1 0 0 0 0 65135 1 0 0 0 0 66136 1 0 0 0 0 66137 1 0 0 0 0 67 77 1 0 0 0 0 67138 1 0 0 0 0 68 78 2 0 0 0 0 68139 1 0 0 0 0 69143 1 0 0 0 0 69144 1 0 0 0 0 69145 1 0 0 0 0 70146 1 0 0 0 0 70147 1 0 0 0 0 70148 1 0 0 0 0 71 81 1 0 0 0 0 71149 1 0 0 0 0 71150 1 0 0 0 0 72 76 1 0 0 0 0 73 79 1 0 0 0 0 73 80 1 0 0 0 0 73151 1 0 0 0 0 74 75 1 0 0 0 0 75 83 1 0 0 0 0 75152 1 0 0 0 0 76 84 1 0 0 0 0 76153 1 0 0 0 0 77 82 2 0 0 0 0 77154 1 0 0 0 0 78 82 1 0 0 0 0 78155 1 0 0 0 0 79 85 1 0 0 0 0 79156 1 0 0 0 0 79157 1 0 0 0 0 81158 1 0 0 0 0 81159 1 0 0 0 0 82160 1 0 0 0 0 83162 1 0 0 0 0 83163 1 0 0 0 0 84164 1 0 0 0 0 84165 1 0 0 0 0 85 87 2 0 0 0 0 86168 1 0 0 0 0 86169 1 0 0 0 0 86170 1 0 0 0 0 87172 1 0 0 0 0 88175 1 0 0 0 0 M END > 127043376 > 1 > 2470 > 18 > 14 > 34 > AAADcfB//ABgAAAAAAAAAAAAAAAAAWLFiwAwAAAAAAAAAAABwAAAHgQQCAAADSjl3ga/mJfJkgyoAzX3fAACgC2xErAJ2YG4cIiKeDbg2TGUYAAutgLYyCecmYKOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid > (2S)-1-[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid > (2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid > (2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid > (2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid > (2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-4-(methylthio)butanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]prolyl]amino]-3-phenyl-propanoyl]proline > InChI=1S/C58H90N16O13S2/c1-32(2)25-39(68-52(81)43-16-10-21-72(43)54(83)38(19-24-89-5)66-47(76)36(59)30-88)49(78)67-40(27-35-28-62-31-64-35)50(79)70-42(29-75)51(80)65-37(15-9-20-63-58(60)61)48(77)71-46(33(3)4)56(85)73-22-11-17-44(73)53(82)69-41(26-34-13-7-6-8-14-34)55(84)74-23-12-18-45(74)57(86)87/h6-8,13-14,28,31-33,36-46,75,88H,9-12,15-27,29-30,59H2,1-5H3,(H,62,64)(H,65,80)(H,66,76)(H,67,78)(H,68,81)(H,69,82)(H,70,79)(H,71,77)(H,86,87)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 > XXKPNJFJXZBRMX-HDKAIKTRSA-N > -2.7 > 1282.63146934 > C58H90N16O13S2 > 1283.6 > CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)O)NC(=O)C5CCCN5C(=O)C(CCSC)NC(=O)C(CS)N > CC(C)C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCSC)NC(=O)[C@H](CS)N > 468 > 1282.63146934 > 0 > 89 > 11 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 43 19 5 39 20 5 57 21 5 53 22 6 62 23 6 73 24 6 75 25 5 76 26 5 28 85 8 28 88 8 29 87 8 29 88 8 32 38 5 36 51 6 41 56 5 60 67 8 60 68 8 67 77 8 68 78 8 77 82 8 78 82 8 85 87 8 $$$$