71551011 -OEChem-04262421142D 75 78 0 1 0 0 0 0 0999 V2000 6.3246 -1.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 1.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.2677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.4490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.2209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 3.1688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2242 -4.8123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.3172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -0.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -0.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -1.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9315 -3.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.9625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9100 -3.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2637 -2.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5779 -4.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6173 -2.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -1.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2852 -3.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5743 -2.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 3.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5564 -4.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 3.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 4.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 4.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 5.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 5.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 0.7787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 1.3956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.6443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7553 -1.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5129 -1.5404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7865 -0.4313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0289 -0.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 0.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4052 -4.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1628 -4.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 3.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4364 -3.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6788 -2.9547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0515 -4.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8091 -4.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 -2.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0991 -0.7077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0926 -3.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1810 -1.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0827 -3.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3251 -3.4928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0920 3.7581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3135 2.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 2.9113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1704 4.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8309 -4.6845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0316 -5.4017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 4.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0885 5.9910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 5.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 18 2 0 0 0 0 8 3 1 6 0 0 0 3 18 1 0 0 0 0 3 42 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 46 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 49 1 0 0 0 0 21 6 1 1 0 0 0 6 67 1 0 0 0 0 6 68 1 0 0 0 0 7 33 1 0 0 0 0 7 71 1 0 0 0 0 7 72 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 11 19 2 0 0 0 0 13 24 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 26 2 0 0 0 0 17 27 1 0 0 0 0 18 21 1 0 0 0 0 19 28 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 32 1 0 0 0 0 21 53 1 0 0 0 0 22 25 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 24 56 1 0 0 0 0 25 33 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 29 1 0 0 0 0 26 59 1 0 0 0 0 27 30 2 0 0 0 0 27 60 1 0 0 0 0 28 31 2 0 0 0 0 28 63 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 31 64 1 0 0 0 0 32 34 2 0 0 0 0 32 35 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 36 1 0 0 0 0 34 69 1 0 0 0 0 35 37 2 0 0 0 0 35 70 1 0 0 0 0 36 38 2 0 0 0 0 36 73 1 0 0 0 0 37 38 1 0 0 0 0 37 74 1 0 0 0 0 38 75 1 0 0 0 0 M END > 71551011 > 1 > 719 > 4 > 5 > 13 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQAAAADCjBngQ8wPLJkACoAzV3VACCgCAxAiAI2aG4ZJgIYPLAlbGUIAhglgDIyAcYicCOwAAAAAACAACAAAAAAAQAAAAAAAAAAA== > (2S)-N-[2-[4-(4-aminobutyl)phenyl]ethyl]-2-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3-(1H-indol-3-yl)propanamide > (2S)-N-[2-[4-(4-aminobutyl)phenyl]ethyl]-2-[[(2R)-2-amino-1-oxo-2-phenylethyl]amino]-3-(1H-indol-3-yl)propanamide > (2S)-N-[2-[4-(4-aminobutyl)phenyl]ethyl]-2-[[(2R)-2-amino-2-phenylacetyl]amino]-3-(1H-indol-3-yl)propanamide > (2S)-N-[2-[4-(4-aminobutyl)phenyl]ethyl]-2-[[(2R)-2-amino-2-phenylacetyl]amino]-3-(1H-indol-3-yl)propanamide > (2S)-N-[2-[4-(4-azanylbutyl)phenyl]ethyl]-2-[[(2R)-2-azanyl-2-phenyl-ethanoyl]amino]-3-(1H-indol-3-yl)propanamide > (2S)-N-[2-[4-(4-aminobutyl)phenyl]ethyl]-2-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3-(1H-indol-3-yl)propionamide > InChI=1S/C31H37N5O2/c32-18-7-6-8-22-13-15-23(16-14-22)17-19-34-30(37)28(20-25-21-35-27-12-5-4-11-26(25)27)36-31(38)29(33)24-9-2-1-3-10-24/h1-5,9-16,21,28-29,35H,6-8,17-20,32-33H2,(H,34,37)(H,36,38)/t28-,29+/m0/s1 > ROLMQQAPBQGDPZ-URLMMPGGSA-N > 2.9 > 511.29472544 > C31H37N5O2 > 511.7 > C1=CC=C(C=C1)C(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCCC4=CC=C(C=C4)CCCCN)N > C1=CC=C(C=C1)[C@H](C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCCC4=CC=C(C=C4)CCCCN)N > 126 > 511.29472544 > 0 > 38 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 10 14 8 11 13 8 11 19 8 13 24 8 17 26 8 17 27 8 19 28 8 23 29 8 23 30 8 24 31 8 26 29 8 27 30 8 28 31 8 8 3 6 32 34 8 32 35 8 34 36 8 35 37 8 36 38 8 37 38 8 4 13 8 4 14 8 21 6 5 $$$$