134347604 -OEChem-09272320542D 58 61 0 0 0 0 0 0 0999 V2000 4.4440 -1.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 2.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0420 0.4647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -1.4013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 0.3307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 -0.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 -1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0420 -0.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -0.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9081 0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9081 1.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7741 2.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0420 2.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -3.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7741 3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0420 3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6680 1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9081 3.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 -3.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 -3.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6680 3.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 1.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 -3.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5741 2.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5741 3.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0980 1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6994 0.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7775 -1.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5746 -1.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5746 1.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7775 1.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2541 -1.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6526 -0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 -1.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1201 0.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5187 1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 0.8677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5051 2.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 0.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 -0.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 -3.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -1.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5051 3.7747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6609 1.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9081 4.5847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -4.5363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4300 -3.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6609 4.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -4.5363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1098 2.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1098 3.7976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 28 1 0 0 0 0 2 58 1 0 0 0 0 3 28 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 40 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 23 2 0 0 0 0 17 22 1 0 0 0 0 17 44 1 0 0 0 0 18 28 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 25 1 0 0 0 0 19 47 1 0 0 0 0 20 26 2 0 0 0 0 20 48 1 0 0 0 0 21 24 1 0 0 0 0 21 27 2 0 0 0 0 22 24 2 0 0 0 0 22 49 1 0 0 0 0 23 30 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 29 2 0 0 0 0 25 52 1 0 0 0 0 26 29 1 0 0 0 0 26 53 1 0 0 0 0 27 31 1 0 0 0 0 27 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 2 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 M END > 134347604 > 1 > 611 > 5 > 3 > 7 > AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAADBVAAAHgAQCAAADIjBmAQwyMPAAgCIAiXSWACCAAAhAgAIiIGIZIgKYDLA0bGUIAhglgDYyAcUgMAOgAACAAAQAAAAAAQAACAAAAAAAAAAAA== > 2-[[4-anilino-1-(1-naphthylmethyl)piperidine-4-carbonyl]amino]acetic acid > 2-[[[4-anilino-1-(1-naphthalenylmethyl)-4-piperidinyl]-oxomethyl]amino]acetic acid > 2-[[4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carbonyl]amino]acetic acid > 2-[[4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carbonyl]amino]acetic acid > 2-[[1-(naphthalen-1-ylmethyl)-4-phenylazanyl-piperidin-4-yl]carbonylamino]ethanoic acid > 2-[[4-anilino-1-(1-naphthylmethyl)isonipecotoyl]amino]acetic acid > InChI=1S/C25H27N3O3/c29-23(30)17-26-24(31)25(27-21-10-2-1-3-11-21)13-15-28(16-14-25)18-20-9-6-8-19-7-4-5-12-22(19)20/h1-12,27H,13-18H2,(H,26,31)(H,29,30) > JZDHWOWCHGYSGA-UHFFFAOYSA-N > 1.7 > 417.20524173 > C25H27N3O3 > 417.5 > C1CN(CCC1(C(=O)NCC(=O)O)NC2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43 > C1CN(CCC1(C(=O)NCC(=O)O)NC2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43 > 81.7 > 417.20524173 > 0 > 31 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 16 8 14 17 8 15 19 8 15 20 8 16 21 8 16 23 8 17 22 8 19 25 8 20 26 8 21 24 8 21 27 8 22 24 8 23 30 8 25 29 8 26 29 8 27 31 8 30 31 8 $$$$