70679940 -OEChem-05072406562D 83 87 0 1 0 0 0 0 0999 V2000 3.9639 1.6142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -2.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 2.7710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.3319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.1567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2316 2.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 2.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 4.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8779 2.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 3.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 1.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.6187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3546 1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -1.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -2.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -2.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 -0.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6173 -3.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5743 -2.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2852 -4.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 0.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2637 -3.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0390 2.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5217 4.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9284 4.0151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3731 1.9053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1307 1.6576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0471 4.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2895 4.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8985 1.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4918 2.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7355 3.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5712 3.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 3.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -0.1572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 0.4597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7686 1.2825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8160 2.1581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 2.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4519 0.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 -0.0057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2800 -0.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.7375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 -0.5674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7553 -2.2287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5129 -2.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8461 -1.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.5801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.9742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0991 -1.6436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9634 -0.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 -3.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2963 -0.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1810 -2.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4666 0.5403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0926 -4.7233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7996 1.4120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6777 -4.3892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3847 1.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 19 2 0 0 0 0 3 7 1 0 0 0 0 3 14 1 0 0 0 0 3 53 1 0 0 0 0 4 13 1 0 0 0 0 15 4 1 6 0 0 0 4 55 1 0 0 0 0 5 19 1 0 0 0 0 5 22 1 0 0 0 0 5 64 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 6 69 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 42 1 0 0 0 0 8 10 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 11 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 12 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 54 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 20 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 25 1 0 0 0 0 21 28 2 0 0 0 0 22 23 1 0 0 0 0 22 65 1 0 0 0 0 22 66 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 23 67 1 0 0 0 0 24 68 1 0 0 0 0 25 29 2 0 0 0 0 26 32 2 0 0 0 0 26 34 1 0 0 0 0 27 33 2 0 0 0 0 27 35 1 0 0 0 0 28 30 1 0 0 0 0 28 70 1 0 0 0 0 29 31 1 0 0 0 0 29 71 1 0 0 0 0 30 31 2 0 0 0 0 30 72 1 0 0 0 0 31 73 1 0 0 0 0 32 36 1 0 0 0 0 32 74 1 0 0 0 0 33 37 1 0 0 0 0 33 75 1 0 0 0 0 34 38 2 0 0 0 0 34 76 1 0 0 0 0 35 39 2 0 0 0 0 35 77 1 0 0 0 0 36 40 2 0 0 0 0 36 78 1 0 0 0 0 37 41 2 0 0 0 0 37 79 1 0 0 0 0 38 40 1 0 0 0 0 38 80 1 0 0 0 0 39 41 1 0 0 0 0 39 81 1 0 0 0 0 40 82 1 0 0 0 0 41 83 1 0 0 0 0 M END > 70679940 > 1 > 810 > 3 > 4 > 11 > AAADcfB/sAAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgB9AAAHgAQAAAADajBngQ+wPLJkACoAzV3VACCgCAxAiAI2aG4ZJgIYPLAkbGUIAhglgDIyAcYicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > N-cyclohexyl-2-[[(1S)-2-(2,2-diphenylethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-methyl-propanamide > N-cyclohexyl-2-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-methylpropanamide > N-cyclohexyl-2-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-methylpropanamide > N-cyclohexyl-2-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-methylpropanamide > N-cyclohexyl-2-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-methyl-propanamide > N-cyclohexyl-2-[[(1S)-2-(2,2-diphenylethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-methyl-propionamide > InChI=1S/C35H42N4O2/c1-35(2,34(41)38-28-18-10-5-11-19-28)39-32(22-27-23-36-31-21-13-12-20-29(27)31)33(40)37-24-30(25-14-6-3-7-15-25)26-16-8-4-9-17-26/h3-4,6-9,12-17,20-21,23,28,30,32,36,39H,5,10-11,18-19,22,24H2,1-2H3,(H,37,40)(H,38,41)/t32-/m0/s1 > YWNSSRKOYZCAER-YTTGMZPUSA-N > 6.4 > 550.33077660 > C35H42N4O2 > 550.7 > CC(C)(C(=O)NC1CCCCC1)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC(C4=CC=CC=C4)C5=CC=CC=C5 > CC(C)(C(=O)NC1CCCCC1)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCC(C4=CC=CC=C4)C5=CC=CC=C5 > 86 > 550.33077660 > 0 > 41 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 21 8 20 24 8 21 25 8 21 28 8 25 29 8 26 32 8 26 34 8 27 33 8 27 35 8 28 30 8 29 31 8 30 31 8 32 36 8 33 37 8 34 38 8 35 39 8 36 40 8 37 41 8 38 40 8 39 41 8 15 4 6 6 24 8 6 25 8 $$$$