71551009 -OEChem-04262416372D 79 82 0 1 0 0 0 0 0999 V2000 5.6103 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 1.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 4.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.7231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 -0.3106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.6460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -2.6241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0667 -1.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 0.2275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9674 -1.8798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -2.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 0.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 -0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7740 -0.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8385 -0.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4418 -0.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7955 -0.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4203 -0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1491 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5063 -1.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1276 0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4848 -1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 2.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0882 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 3.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 3.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 3.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9606 0.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 -2.4691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -1.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -1.9987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3525 1.2638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5169 0.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 -1.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7185 0.2232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9609 0.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3336 -1.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0912 -1.4240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0210 -0.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3004 0.3038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5427 0.5514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9155 -1.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6731 -1.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 -2.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -3.2134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9467 -0.2343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1891 0.0133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7351 0.7695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3137 -1.9761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3203 1.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8989 -1.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9356 2.5387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6027 1.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5618 -1.6338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3194 -1.8815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4388 4.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 3.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4808 -1.5615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2593 -0.5107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 5.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 2 0 0 0 0 3 40 1 0 0 0 0 3 79 1 0 0 0 0 9 4 1 1 0 0 0 4 15 1 0 0 0 0 4 47 1 0 0 0 0 5 16 1 0 0 0 0 5 19 1 0 0 0 0 5 53 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 54 1 0 0 0 0 10 7 1 1 0 0 0 7 59 1 0 0 0 0 7 60 1 0 0 0 0 8 37 1 0 0 0 0 8 77 1 0 0 0 0 8 78 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 14 1 0 0 0 0 12 18 2 0 0 0 0 13 21 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 17 1 0 0 0 0 14 26 2 0 0 0 0 17 28 2 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 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 33 2 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 27 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 26 35 1 0 0 0 0 26 61 1 0 0 0 0 27 37 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 36 1 0 0 0 0 28 64 1 0 0 0 0 29 31 1 0 0 0 0 29 65 1 0 0 0 0 30 32 2 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 33 38 1 0 0 0 0 33 69 1 0 0 0 0 34 39 2 0 0 0 0 34 70 1 0 0 0 0 35 36 2 0 0 0 0 35 71 1 0 0 0 0 36 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 40 2 0 0 0 0 38 75 1 0 0 0 0 39 40 1 0 0 0 0 39 76 1 0 0 0 0 M END > 71551009 > 1 > 766 > 5 > 6 > 14 > AAADcfB/sAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADCzBngQ8xvLJkgCoAzV3VACCgCAxIiAI2aG+bJgIZvLCkbOUcAhk1hHI2AeYyeCO4AAAAAACAADAAAAAAAQAAAAAAAAAAA== > (2S)-N-[2-[4-(4-aminobutyl)phenyl]ethyl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanamide > (2S)-N-[2-[4-(4-aminobutyl)phenyl]ethyl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanamide > (2S)-N-[2-[4-(4-aminobutyl)phenyl]ethyl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanamide > (2S)-N-[2-[4-(4-aminobutyl)phenyl]ethyl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanamide > (2S)-N-[2-[4-(4-azanylbutyl)phenyl]ethyl]-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanamide > (2S)-N-[2-[4-(4-aminobutyl)phenyl]ethyl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propionamide > InChI=1S/C32H39N5O3/c33-17-4-3-5-22-8-10-23(11-9-22)16-18-35-32(40)30(19-24-12-14-26(38)15-13-24)37-31(39)28(34)20-25-21-36-29-7-2-1-6-27(25)29/h1-2,6-15,21,28,30,36,38H,3-5,16-20,33-34H2,(H,35,40)(H,37,39)/t28-,30-/m0/s1 > XFEMVDYKBBBBDK-JDXGNMNLSA-N > 2.9 > 541.30529012 > C32H39N5O3 > 541.7 > C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NCCC4=CC=C(C=C4)CCCCN)N > C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)NCCC4=CC=C(C=C4)CCCCN)N > 146 > 541.30529012 > 0 > 40 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 8 12 18 8 14 17 8 14 26 8 17 28 8 21 33 8 21 34 8 23 29 8 23 30 8 25 31 8 25 32 8 26 35 8 28 36 8 29 31 8 30 32 8 33 38 8 34 39 8 35 36 8 38 40 8 39 40 8 9 4 5 6 17 8 6 18 8 10 7 5 $$$$