71551934 -OEChem-04182423152D 78 81 0 1 0 0 0 0 0999 V2000 5.6103 0.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 2.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.0171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 0.3954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.9181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0667 -0.3940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 0.9335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9674 -1.1738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 1.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 1.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7740 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8385 0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4418 -0.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7955 0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4203 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5063 -0.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1491 1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4848 -0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1276 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0882 -0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 3.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 4.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 4.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9606 0.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 -1.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.7604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3525 1.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5169 1.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 -0.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7185 0.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9609 1.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3336 -0.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0912 -0.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0210 -0.1939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3004 1.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5427 1.2574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9155 -0.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6731 -0.6374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 -1.7902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -2.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9467 0.4717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1891 0.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3137 -1.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7351 1.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8989 -0.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3203 1.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6027 2.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9356 3.2447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5618 -0.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3194 -1.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 3.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4388 4.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 5.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4808 -0.8555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2593 0.1953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 15 2 0 0 0 0 8 3 1 1 0 0 0 3 14 1 0 0 0 0 3 46 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 4 52 1 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 5 53 1 0 0 0 0 9 6 1 1 0 0 0 6 58 1 0 0 0 0 6 59 1 0 0 0 0 7 36 1 0 0 0 0 7 77 1 0 0 0 0 7 78 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 20 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 16 1 0 0 0 0 13 25 2 0 0 0 0 16 27 2 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 22 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 33 2 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 23 26 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 30 2 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 25 60 1 0 0 0 0 26 36 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 35 1 0 0 0 0 27 63 1 0 0 0 0 28 30 1 0 0 0 0 28 64 1 0 0 0 0 29 31 2 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 32 35 2 0 0 0 0 32 68 1 0 0 0 0 33 37 1 0 0 0 0 33 69 1 0 0 0 0 34 38 2 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 37 39 2 0 0 0 0 37 74 1 0 0 0 0 38 39 1 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 M END > 71551934 > 1 > 734 > 4 > 5 > 14 > AAADcfB/sAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQAAAADCjBngQ8wPLJkACoAzV3VACCgCAxAiAI2aG4ZJgIYPLAkbGUIAhglgDIyAcYicCOwAAAAAACAACAAAAAAAQAAAAAAAAAAA== > (2S)-N-[2-[4-(4-aminobutyl)phenyl]ethyl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanamide > (2S)-N-[2-[4-(4-aminobutyl)phenyl]ethyl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-phenylpropanamide > (2S)-N-[2-[4-(4-aminobutyl)phenyl]ethyl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide > (2S)-N-[2-[4-(4-aminobutyl)phenyl]ethyl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide > (2S)-N-[2-[4-(4-azanylbutyl)phenyl]ethyl]-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanamide > (2S)-N-[2-[4-(4-aminobutyl)phenyl]ethyl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propionamide > InChI=1S/C32H39N5O2/c33-18-7-6-8-23-13-15-24(16-14-23)17-19-35-32(39)30(20-25-9-2-1-3-10-25)37-31(38)28(34)21-26-22-36-29-12-5-4-11-27(26)29/h1-5,9-16,22,28,30,36H,6-8,17-21,33-34H2,(H,35,39)(H,37,38)/t28-,30-/m0/s1 > VTAYLPTYHJWJOC-JDXGNMNLSA-N > 3.2 > 525.31037550 > C32H39N5O2 > 525.7 > C1=CC=C(C=C1)CC(C(=O)NCCC2=CC=C(C=C2)CCCCN)NC(=O)C(CC3=CNC4=CC=CC=C43)N > C1=CC=C(C=C1)C[C@@H](C(=O)NCCC2=CC=C(C=C2)CCCCN)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N > 126 > 525.31037550 > 0 > 39 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 13 8 11 17 8 13 16 8 13 25 8 16 27 8 20 33 8 20 34 8 22 28 8 22 29 8 24 30 8 24 31 8 25 32 8 27 35 8 28 30 8 29 31 8 8 3 5 32 35 8 33 37 8 34 38 8 37 39 8 38 39 8 4 16 8 4 17 8 9 6 5 $$$$