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0 0 0 0 0 0 0 5.5637 2.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -3.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 3.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6173 -4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -3.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2066 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 3.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2852 -5.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5743 -3.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 5.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2496 3.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2637 -4.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5602 4.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -1.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -1.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -1.7509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 -0.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.5935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 1.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 -1.5808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7553 -3.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5129 -3.4896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6464 1.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 0.6129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5061 1.3474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7716 1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7865 -2.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0289 -2.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1107 2.4162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9463 3.1961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.7835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 -4.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0991 -2.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8132 4.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7248 2.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0926 -5.7366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1810 -3.8627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 5.7366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6429 3.8627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6777 -5.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1461 5.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 15 2 0 0 0 0 7 3 1 1 0 0 0 3 15 1 0 0 0 0 3 39 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 42 1 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 5 43 1 0 0 0 0 14 6 1 1 0 0 0 6 21 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 12 18 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 41 1 0 0 0 0 16 22 1 0 0 0 0 16 44 1 0 0 0 0 17 20 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 23 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 24 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 25 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 2 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 58 1 0 0 0 0 27 31 2 0 0 0 0 27 59 1 0 0 0 0 28 32 1 0 0 0 0 28 60 1 0 0 0 0 29 33 2 0 0 0 0 29 61 1 0 0 0 0 30 34 2 0 0 0 0 30 62 1 0 0 0 0 31 34 1 0 0 0 0 31 63 1 0 0 0 0 32 35 2 0 0 0 0 32 64 1 0 0 0 0 33 35 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 M END > 71372734 > 1 > 659 > 3 > 4 > 11 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQAAAADCjBngQ+wPLJkACoAzV3VACCgCAxAiAI2aG4ZJgIYPLAkbGUIAhglgDIyAcYicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2R)-2-[[(2S)-2-(benzylamino)propanoyl]amino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide > (2R)-3-(1H-indol-3-yl)-2-[[(2S)-1-oxo-2-[(phenylmethyl)amino]propyl]amino]-N-(2-phenylethyl)propanamide > (2R)-2-[[(2S)-2-(benzylamino)propanoyl]amino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide > (2R)-2-[[(2S)-2-(benzylamino)propanoyl]amino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide > (2R)-3-(1H-indol-3-yl)-N-(2-phenylethyl)-2-[[(2S)-2-[(phenylmethyl)amino]propanoyl]amino]propanamide > (2R)-2-[[(2S)-2-(benzylamino)propanoyl]amino]-3-(1H-indol-3-yl)-N-phenethyl-propionamide > InChI=1S/C29H32N4O2/c1-21(31-19-23-12-6-3-7-13-23)28(34)33-27(18-24-20-32-26-15-9-8-14-25(24)26)29(35)30-17-16-22-10-4-2-5-11-22/h2-15,20-21,27,31-32H,16-19H2,1H3,(H,30,35)(H,33,34)/t21-,27+/m0/s1 > DBFWHAOBJXLIKL-KDYSTLNUSA-N > 3.8 > 468.25252628 > C29H32N4O2 > 468.6 > CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CC=CC=C3)NCC4=CC=CC=C4 > C[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CC=CC=C3)NCC4=CC=CC=C4 > 86 > 468.25252628 > 0 > 35 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 10 16 8 12 18 8 16 22 8 18 23 8 22 23 8 24 26 8 24 27 8 25 28 8 25 29 8 26 30 8 27 31 8 28 32 8 29 33 8 7 3 5 30 34 8 31 34 8 32 35 8 33 35 8 4 12 8 4 13 8 14 6 5 9 10 8 9 13 8 $$$$