70679924 -OEChem-04192406432D 89 94 0 1 0 0 0 0 0999 V2000 7.0757 -2.4441 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 9.1024 0.5380 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 9.9598 -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 8.5643 -1.1084 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 9.3086 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1519 0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8201 -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 9.8467 1.2058 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 4.6783 -1.4164 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 3.7320 -1.7211 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 5.2619 -2.2211 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 5.9209 2.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1335 -4.3546 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 -4.7597 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 9.4665 -5.0915 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 5.5637 4.0805 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 5.2066 5.7754 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 4.5387 6.5197 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 3.5602 6.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2723 -1.6553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0522 -1.4909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0799 0.7072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8323 -0.0505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6362 -0.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8839 -0.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4439 1.3956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6640 1.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1739 -1.4180 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 10.2608 0.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3082 1.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4326 1.6673 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 -3.0860 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 5.0036 1.3073 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 5.8819 -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 -3.6152 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 8.8501 -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 4.5684 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 9.7047 -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 -4.6965 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 5.8132 5.9032 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 4.7313 7.1090 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 3.1461 6.7749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 18 2 0 0 0 0 3 9 1 0 0 0 0 15 3 1 1 0 0 0 3 54 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 17 1 0 0 0 0 5 14 1 0 0 0 0 5 20 1 0 0 0 0 5 61 1 0 0 0 0 6 18 1 0 0 0 0 6 25 1 0 0 0 0 6 64 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 7 70 1 0 0 0 0 8 31 1 0 0 0 0 8 34 1 0 0 0 0 8 80 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 13 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 55 1 0 0 0 0 16 19 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 20 22 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 24 1 0 0 0 0 21 27 2 0 0 0 0 22 26 1 0 0 0 0 22 65 1 0 0 0 0 22 66 1 0 0 0 0 23 67 1 0 0 0 0 24 30 2 0 0 0 0 25 28 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 29 1 0 0 0 0 26 31 2 0 0 0 0 27 32 1 0 0 0 0 27 71 1 0 0 0 0 28 33 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 34 1 0 0 0 0 29 36 2 0 0 0 0 30 35 1 0 0 0 0 30 74 1 0 0 0 0 31 75 1 0 0 0 0 32 35 2 0 0 0 0 32 78 1 0 0 0 0 33 37 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 38 2 0 0 0 0 35 79 1 0 0 0 0 36 39 1 0 0 0 0 36 81 1 0 0 0 0 37 41 2 0 0 0 0 37 42 1 0 0 0 0 38 40 1 0 0 0 0 38 82 1 0 0 0 0 39 40 2 0 0 0 0 39 83 1 0 0 0 0 40 84 1 0 0 0 0 41 43 1 0 0 0 0 41 85 1 0 0 0 0 42 44 2 0 0 0 0 42 86 1 0 0 0 0 43 45 2 0 0 0 0 43 87 1 0 0 0 0 44 45 1 0 0 0 0 44 88 1 0 0 0 0 45 89 1 0 0 0 0 M END > 70679924 > 1 > 947 > 4 > 5 > 13 > AAADcfB/sAAAAAAAAAAAAAAAAAAAAWLAAAA8YMEAAAAAAFgB/gAAHgAQAAAADKjBngQ+wPPJkACoAzV3VACCgCAxAiAI2aG4ZJgIYPLA0bGUIAhglgDIyAccicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > N-[2-(1H-indol-3-yl)ethyl]-4-[[(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(3-phenylpropylamino)ethyl]amino]-1-methyl-piperidine-4-carboxamide > N-[2-(1H-indol-3-yl)ethyl]-4-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]amino]-1-methyl-4-piperidinecarboxamide > N-[2-(1H-indol-3-yl)ethyl]-4-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]amino]-1-methylpiperidine-4-carboxamide > N-[2-(1H-indol-3-yl)ethyl]-4-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]amino]-1-methylpiperidine-4-carboxamide > N-[2-(1H-indol-3-yl)ethyl]-4-[[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(3-phenylpropylamino)propan-2-yl]amino]-1-methyl-piperidine-4-carboxamide > N-[2-(1H-indol-3-yl)ethyl]-4-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(3-phenylpropylamino)ethyl]amino]-1-methyl-isonipecotamide > InChI=1S/C37H44N6O2/c1-43-22-18-37(19-23-43,36(45)39-21-17-28-25-40-32-15-7-5-13-30(28)32)42-34(24-29-26-41-33-16-8-6-14-31(29)33)35(44)38-20-9-12-27-10-3-2-4-11-27/h2-8,10-11,13-16,25-26,34,40-42H,9,12,17-24H2,1H3,(H,38,44)(H,39,45)/t34-/m0/s1 > MDQSWNJJNNIWDK-UMSFTDKQSA-N > 5.4 > 604.35257467 > C37H44N6O2 > 604.8 > CN1CCC(CC1)(C(=O)NCCC2=CNC3=CC=CC=C32)NC(CC4=CNC5=CC=CC=C54)C(=O)NCCCC6=CC=CC=C6 > CN1CCC(CC1)(C(=O)NCCC2=CNC3=CC=CC=C32)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)NCCCC6=CC=CC=C6 > 105 > 604.35257467 > 0 > 45 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 21 8 19 23 8 21 24 8 21 27 8 24 30 8 26 29 8 26 31 8 27 32 8 29 34 8 29 36 8 15 3 5 30 35 8 32 35 8 34 38 8 36 39 8 37 41 8 37 42 8 38 40 8 39 40 8 41 43 8 42 44 8 43 45 8 44 45 8 7 23 8 7 24 8 8 31 8 8 34 8 $$$$