24755604 -OEChem-09272320532D 123122 0 1 0 0 0 0 0999 V2000 20.7515 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.4203 8.8803 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 8.6015 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 14.6893 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 7.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5553 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 9.1015 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7320 7.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8855 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7515 1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.0194 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5859 14.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 8.6015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1534 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4693 9.1893 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 7.8512 9.1893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1602 10.1404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1602 10.1404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1534 5.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2874 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 9.1015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4214 5.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0194 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 10.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 9.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0194 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4214 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 10.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 10.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5553 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 8.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 8.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0194 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8855 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1534 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0194 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8855 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1534 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 9.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 7.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0194 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8855 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 7.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 8.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 7.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0194 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8233 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 7.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9573 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8855 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1534 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8855 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 7.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 6.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1534 11.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8855 11.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 7.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 5.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0194 12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 8.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 6.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6904 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6859 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8889 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 8.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9583 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2315 5.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6300 6.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 10.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6165 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 9.5765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 9.5765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8014 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4214 3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0414 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 11.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 10.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 10.0646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7741 10.0646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 10.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1541 11.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 7.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 6.9939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 5.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 6.2092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4224 7.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6165 7.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4089 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8074 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 6.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 5.4939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4224 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6165 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 9.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6592 7.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4960 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0975 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 8.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 6.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 4.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 4.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2218 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4248 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6473 6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4203 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2673 4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6165 10.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4224 10.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2573 5.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6165 11.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4224 11.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 7.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 4.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0194 12.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 5.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1228 14.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0490 14.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 32 1 0 0 0 0 4 52 1 0 0 0 0 5 28 2 0 0 0 0 6 32 2 0 0 0 0 7 33 1 0 0 0 0 8 33 2 0 0 0 0 9 35 2 0 0 0 0 10 55 1 0 0 0 0 11 55 2 0 0 0 0 12122 1 0 0 0 0 12123 1 0 0 0 0 21 13 1 6 0 0 0 13 25 1 0 0 0 0 13 28 1 0 0 0 0 19 14 1 1 0 0 0 14 35 1 0 0 0 0 14 75 1 0 0 0 0 15 17 1 0 0 0 0 15 65 1 0 0 0 0 16 18 1 0 0 0 0 16 65 2 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 67 1 0 0 0 0 20 22 1 0 0 0 0 20 68 1 0 0 0 0 20 69 1 0 0 0 0 21 24 1 0 0 0 0 21 33 1 0 0 0 0 21 70 1 0 0 0 0 22 27 1 1 0 0 0 22 32 1 0 0 0 0 22 71 1 0 0 0 0 23 26 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 24 74 1 0 0 0 0 25 34 1 0 0 0 0 25 76 1 0 0 0 0 25 77 1 0 0 0 0 26 37 2 0 0 0 0 26 38 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 27 80 1 0 0 0 0 28 31 1 0 0 0 0 29 81 1 0 0 0 0 29 82 1 0 0 0 0 29 83 1 0 0 0 0 30 84 1 0 0 0 0 30 85 1 0 0 0 0 30 86 1 0 0 0 0 31 36 1 0 0 0 0 31 87 1 0 0 0 0 31 88 1 0 0 0 0 34 43 2 0 0 0 0 34 44 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 37 41 1 0 0 0 0 37 91 1 0 0 0 0 38 42 2 0 0 0 0 38 92 1 0 0 0 0 39 46 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 40 50 1 0 0 0 0 40 95 1 0 0 0 0 40 96 1 0 0 0 0 41 45 2 0 0 0 0 41 97 1 0 0 0 0 42 45 1 0 0 0 0 42 98 1 0 0 0 0 43 48 1 0 0 0 0 43 99 1 0 0 0 0 44 49 2 0 0 0 0 44100 1 0 0 0 0 45 51 1 0 0 0 0 46 55 1 0 0 0 0 46101 1 0 0 0 0 46102 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 47 53 1 0 0 0 0 48103 1 0 0 0 0 49104 1 0 0 0 0 50105 1 0 0 0 0 50106 1 0 0 0 0 50107 1 0 0 0 0 51 56 2 0 0 0 0 51 57 1 0 0 0 0 52 54 1 0 0 0 0 52108 1 0 0 0 0 52109 1 0 0 0 0 53 58 1 0 0 0 0 53 59 2 0 0 0 0 54110 1 0 0 0 0 54111 1 0 0 0 0 54112 1 0 0 0 0 56 60 1 0 0 0 0 56113 1 0 0 0 0 57 61 2 0 0 0 0 57114 1 0 0 0 0 58 62 2 0 0 0 0 58 65 1 0 0 0 0 59 63 1 0 0 0 0 59115 1 0 0 0 0 60 64 2 0 0 0 0 60116 1 0 0 0 0 61 64 1 0 0 0 0 61117 1 0 0 0 0 62 66 1 0 0 0 0 62118 1 0 0 0 0 63 66 2 0 0 0 0 63119 1 0 0 0 0 64120 1 0 0 0 0 66121 1 0 0 0 0 M CHG 6 1 1 2 1 3 1 7 -1 10 -1 15 -1 M END > 24755604 > 1 > 1140 > 13 > 2 > 20 > AAADcfB/vDAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAAAB1AAAHgAYCAAADSjhmwYzGIfABACqAiPyOACCAAIgAAAciKGoBJgKILKAkTGGIAhklgCYiAe/yOCOwAAAAAAQAACAAAAAACAAAAAAAAAAAA== > trisodium;4-[[(1S,3R)-4-ethoxy-3-methyl-4-oxo-1-[(4-phenylphenyl)methyl]butyl]amino]-4-oxo-butanoate;(2S)-3-methyl-2-[pentanoyl-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]amino]butanoate;hydrate > trisodium;4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate;(2S)-3-methyl-2-[1-oxopentyl-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]amino]butanoate;hydrate > trisodium;4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate;(2S)-3-methyl-2-[pentanoyl-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]amino]butanoate;hydrate > trisodium;4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate;(2S)-3-methyl-2-[pentanoyl-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]amino]butanoate;hydrate > trisodium;4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxidanylidene-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxidanylidene-butanoate;(2S)-3-methyl-2-[pentanoyl-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]amino]butanoate;hydrate > trisodium;4-[[(1S,3R)-4-ethoxy-4-keto-3-methyl-1-(4-phenylbenzyl)butyl]amino]-4-keto-butyrate;(2S)-3-methyl-2-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]benzyl]-valeryl-amino]butyrate;hydrate > InChI=1S/C24H29N5O3.C24H29NO5.3Na.H2O/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23;1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;;;;/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H2,25,26,27,28,31,32);4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);;;;1H2/q;;3*+1;/p-3/t22-;17-,21+;;;;/m01..../s1 > UOLUPHRXIRFONO-JOYYXRJNSA-K > 930.38801026 > C48H57N6Na3O9 > 931.0 > CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=N[N-]3)C(C(C)C)C(=O)[O-].CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].O.[Na+].[Na+].[Na+] > CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=N[N-]3)[C@@H](C(C)C)C(=O)[O-].CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].O.[Na+].[Na+].[Na+] > 197 > 930.38801026 > 0 > 66 > 3 > 0 > 0 > 0 > 0 > 6 > -1 > 1 5 255 > 21 13 6 19 14 5 15 17 8 15 65 8 16 18 8 16 65 8 17 18 8 22 27 5 26 37 8 26 38 8 34 43 8 34 44 8 37 41 8 38 42 8 41 45 8 42 45 8 43 48 8 44 49 8 47 48 8 47 49 8 51 56 8 51 57 8 53 58 8 53 59 8 56 60 8 57 61 8 58 62 8 59 63 8 60 64 8 61 64 8 62 66 8 63 66 8 $$$$