70679922 -OEChem-05072419192D 81 86 0 1 0 0 0 0 0999 V2000 7.0757 -2.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.0039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7705 -2.0869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.4352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.0258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9597 -5.9546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4076 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5923 -0.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3861 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.2596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9767 -3.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9273 -3.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1335 -4.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 3.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0413 -4.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4664 -5.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 4.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9333 -5.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9562 -4.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 4.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7403 -6.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7632 -4.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6552 -5.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 4.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2066 5.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2496 5.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 6.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5602 6.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2797 0.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8009 0.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7202 -1.1982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1990 -0.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9927 0.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2582 0.9937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -1.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 -0.8489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.1538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2320 -1.6728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3571 -3.0859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8894 -3.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5469 -3.3555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0146 -2.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 1.3074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4678 2.0937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3035 2.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7062 3.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8705 2.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -5.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1107 3.7885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9463 4.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7046 -6.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0232 -3.7397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6733 -6.9608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3305 -4.6964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1556 -6.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7248 4.0293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8132 5.9032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6429 5.2351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 7.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1461 6.7749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 15 2 0 0 0 0 3 8 1 0 0 0 0 13 3 1 1 0 0 0 3 49 1 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 4 53 1 0 0 0 0 5 15 1 0 0 0 0 5 21 1 0 0 0 0 5 58 1 0 0 0 0 6 20 1 0 0 0 0 6 22 1 0 0 0 0 6 62 1 0 0 0 0 7 28 1 0 0 0 0 7 31 1 0 0 0 0 7 72 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 50 1 0 0 0 0 14 17 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 16 18 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 23 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 22 1 0 0 0 0 19 24 2 0 0 0 0 20 59 1 0 0 0 0 21 25 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 27 2 0 0 0 0 23 26 1 0 0 0 0 23 28 2 0 0 0 0 24 30 1 0 0 0 0 24 63 1 0 0 0 0 25 29 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 31 1 0 0 0 0 26 33 2 0 0 0 0 27 32 1 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 29 34 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 32 2 0 0 0 0 30 70 1 0 0 0 0 31 35 2 0 0 0 0 32 71 1 0 0 0 0 33 36 1 0 0 0 0 33 73 1 0 0 0 0 34 38 2 0 0 0 0 34 39 1 0 0 0 0 35 37 1 0 0 0 0 35 74 1 0 0 0 0 36 37 2 0 0 0 0 36 75 1 0 0 0 0 37 76 1 0 0 0 0 38 40 1 0 0 0 0 38 77 1 0 0 0 0 39 41 2 0 0 0 0 39 78 1 0 0 0 0 40 42 2 0 0 0 0 40 79 1 0 0 0 0 41 42 1 0 0 0 0 41 80 1 0 0 0 0 42 81 1 0 0 0 0 M END > 70679922 > 1 > 887 > 3 > 5 > 13 > AAADcfB/sAAAAAAAAAAAAAAAAABgAWLAAAAwYMAAAAAAAFgB/gAAHgAQAAAADKjBngQ8wPLJkACoAzV3VACCgCAxAiAI2aG4ZJgIYPLAkbGUIAhglgDIyAcYicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > N-[2-(1H-indol-3-yl)ethyl]-1-[[(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(3-phenylpropylamino)ethyl]amino]cyclobutanecarboxamide > N-[2-(1H-indol-3-yl)ethyl]-1-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]amino]-1-cyclobutanecarboxamide > N-[2-(1H-indol-3-yl)ethyl]-1-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]amino]cyclobutane-1-carboxamide > N-[2-(1H-indol-3-yl)ethyl]-1-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]amino]cyclobutane-1-carboxamide > N-[2-(1H-indol-3-yl)ethyl]-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(3-phenylpropylamino)propan-2-yl]amino]cyclobutane-1-carboxamide > N-[2-(1H-indol-3-yl)ethyl]-1-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(3-phenylpropylamino)ethyl]amino]cyclobutanecarboxamide > InChI=1S/C35H39N5O2/c41-33(36-20-8-12-25-10-2-1-3-11-25)32(22-27-24-39-31-16-7-5-14-29(27)31)40-35(18-9-19-35)34(42)37-21-17-26-23-38-30-15-6-4-13-28(26)30/h1-7,10-11,13-16,23-24,32,38-40H,8-9,12,17-22H2,(H,36,41)(H,37,42)/t32-/m0/s1 > LXGKCVYWXHHCEX-YTTGMZPUSA-N > 5.7 > 561.31037550 > C35H39N5O2 > 561.7 > C1CC(C1)(C(=O)NCCC2=CNC3=CC=CC=C32)NC(CC4=CNC5=CC=CC=C54)C(=O)NCCCC6=CC=CC=C6 > C1CC(C1)(C(=O)NCCC2=CNC3=CC=CC=C32)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)NCCCC6=CC=CC=C6 > 102 > 561.31037550 > 0 > 42 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 19 8 17 20 8 19 22 8 19 24 8 22 27 8 23 26 8 23 28 8 24 30 8 26 31 8 26 33 8 27 32 8 13 3 5 30 32 8 31 35 8 33 36 8 34 38 8 34 39 8 35 37 8 36 37 8 38 40 8 39 41 8 40 42 8 41 42 8 6 20 8 6 22 8 7 28 8 7 31 8 $$$$