57231173 -OEChem-04192408052D 68 72 0 1 0 0 0 0 0999 V2000 6.3246 -2.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 1.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.8890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 -0.2703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.5996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.1171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2316 3.2450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 0.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.3509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2863 -0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9544 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1523 -0.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9431 0.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2863 -1.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0184 -0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1523 -2.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0184 -1.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9704 2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8714 1.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9849 -0.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2807 -2.0467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8740 -1.5144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4293 0.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6717 0.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7553 -1.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5129 -2.2085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9039 0.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3106 0.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 0.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6444 1.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.4698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3572 0.9959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 0.7275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7494 -2.2474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5553 -0.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1523 -3.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5553 -2.2474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.7064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 3.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 2.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 2.0158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6788 1.3945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4608 1.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 2.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8175 3.7064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8383 3.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 23 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 14 5 1 1 0 0 0 5 23 1 0 0 0 0 5 50 1 0 0 0 0 6 27 1 0 0 0 0 6 29 1 0 0 0 0 6 56 1 0 0 0 0 7 25 1 0 0 0 0 7 65 1 0 0 0 0 7 66 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 14 17 1 0 0 0 0 14 45 1 0 0 0 0 15 18 1 0 0 0 0 15 21 2 0 0 0 0 16 19 2 0 0 0 0 16 46 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 49 1 0 0 0 0 20 24 1 0 0 0 0 20 27 2 0 0 0 0 21 26 1 0 0 0 0 21 51 1 0 0 0 0 22 28 1 0 0 0 0 22 52 1 0 0 0 0 23 25 1 0 0 0 0 24 29 1 0 0 0 0 24 32 2 0 0 0 0 25 30 1 0 0 0 0 25 31 1 0 0 0 0 26 28 2 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 29 33 2 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 34 1 0 0 0 0 32 63 1 0 0 0 0 33 35 1 0 0 0 0 33 64 1 0 0 0 0 34 35 2 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 M END > 57231173 > 1 > 764 > 3 > 3 > 6 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAWLAAAA8YIAAAAAAAFgB/gAAHgAQAAAADKjBngQ+wPPNkACoAzV3VACCgCAxAiAI2aG4ZJgIYPLA0bGUIAhglgDIyAcYicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 2-amino-N-[(1R)-1-(1H-indol-3-ylmethyl)-2-(4-indol-1-yl-1-piperidyl)-2-oxo-ethyl]-2-methyl-propanamide > 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[4-(1-indolyl)-1-piperidinyl]-1-oxopropan-2-yl]-2-methylpropanamide > 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(4-indol-1-ylpiperidin-1-yl)-1-oxopropan-2-yl]-2-methylpropanamide > 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(4-indol-1-ylpiperidin-1-yl)-1-oxopropan-2-yl]-2-methylpropanamide > 2-azanyl-N-[(2R)-3-(1H-indol-3-yl)-1-(4-indol-1-ylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide > 2-amino-N-[(1R)-1-(1H-indol-3-ylmethyl)-2-(4-indol-1-ylpiperidino)-2-keto-ethyl]-2-methyl-propionamide > InChI=1S/C28H33N5O2/c1-28(2,29)27(35)31-24(17-20-18-30-23-9-5-4-8-22(20)23)26(34)32-14-12-21(13-15-32)33-16-11-19-7-3-6-10-25(19)33/h3-11,16,18,21,24,30H,12-15,17,29H2,1-2H3,(H,31,35)/t24-/m1/s1 > MQFWXIZQWIMQMT-XMMPIXPASA-N > 3.1 > 471.26342531 > C28H33N5O2 > 471.6 > CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC(CC3)N4C=CC5=CC=CC=C54)N > CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC(CC3)N4C=CC5=CC=CC=C54)N > 96.2 > 471.26342531 > 0 > 35 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 18 8 15 21 8 16 19 8 18 19 8 18 22 8 20 24 8 20 27 8 21 26 8 22 28 8 24 29 8 24 32 8 26 28 8 29 33 8 32 34 8 33 35 8 34 35 8 4 15 8 4 16 8 14 5 5 6 27 8 6 29 8 $$$$