71551888 -OEChem-05052412302D 75 78 0 1 0 0 0 0 0999 V2000 5.6103 -2.8540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 -1.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -3.3920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -7.3150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 -0.7467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -5.2931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4672 7.3150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -4.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -4.5488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6783 -5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -2.4415 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -7.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -3.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -6.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 3.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4922 4.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -2.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 -1.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8494 3.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1851 1.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8244 5.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8279 3.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 2.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4957 2.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2066 1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 6.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 -2.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 -1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 -2.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 -1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 -1.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -4.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -4.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 -5.1381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9606 -2.5694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -6.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 -3.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6346 4.2174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 3.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3998 0.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2355 1.4360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -7.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0391 4.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8748 5.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9953 0.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1597 -0.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 5.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4418 5.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8168 -0.6188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 -5.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -5.8824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0205 3.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 2.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1024 2.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0140 0.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.7002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -7.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6819 6.2787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5176 7.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0210 -3.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4424 -0.8233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6062 -3.2348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 -0.4892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1095 -1.6950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6598 7.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8605 7.1871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 21 2 0 0 0 0 12 3 1 1 0 0 0 3 14 1 0 0 0 0 3 44 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 49 1 0 0 0 0 5 19 1 0 0 0 0 5 21 1 0 0 0 0 5 57 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 33 1 0 0 0 0 7 74 1 0 0 0 0 7 75 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 39 1 0 0 0 0 8 40 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 15 2 0 0 0 0 11 13 1 0 0 0 0 11 24 2 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 42 1 0 0 0 0 13 26 2 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 25 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 34 2 0 0 0 0 20 35 1 0 0 0 0 22 27 2 0 0 0 0 22 28 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 54 1 0 0 0 0 25 33 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 32 1 0 0 0 0 26 60 1 0 0 0 0 27 29 1 0 0 0 0 27 61 1 0 0 0 0 28 30 2 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 31 32 2 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 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 71 1 0 0 0 0 37 38 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 M END > 71551888 > 1 > 719 > 4 > 5 > 13 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQAAAADCjBngQ8wPLJkACoAzV3VACCgCAxAiAI2aG4ZJgIYPLAlbGUIAhglgDIyAcYicCOwAAAAAACAACAAAAAAAQAAAAAAAAAAA== > (2S)-2-amino-N-[(1R)-2-[2-[4-(4-aminobutyl)phenyl]ethylamino]-2-oxo-1-phenyl-ethyl]-3-(1H-indol-3-yl)propanamide > (2S)-2-amino-N-[(1R)-2-[2-[4-(4-aminobutyl)phenyl]ethylamino]-2-oxo-1-phenylethyl]-3-(1H-indol-3-yl)propanamide > (2S)-2-amino-N-[(1R)-2-[2-[4-(4-aminobutyl)phenyl]ethylamino]-2-oxo-1-phenylethyl]-3-(1H-indol-3-yl)propanamide > (2S)-2-amino-N-[(1R)-2-[2-[4-(4-aminobutyl)phenyl]ethylamino]-2-oxo-1-phenylethyl]-3-(1H-indol-3-yl)propanamide > (2S)-2-azanyl-N-[(1R)-2-[2-[4-(4-azanylbutyl)phenyl]ethylamino]-2-oxidanylidene-1-phenyl-ethyl]-3-(1H-indol-3-yl)propanamide > (2S)-2-amino-N-[(1R)-2-[2-[4-(4-aminobutyl)phenyl]ethylamino]-2-keto-1-phenyl-ethyl]-3-(1H-indol-3-yl)propionamide > InChI=1S/C31H37N5O2/c32-18-7-6-8-22-13-15-23(16-14-22)17-19-34-31(38)29(24-9-2-1-3-10-24)36-30(37)27(33)20-25-21-35-28-12-5-4-11-26(25)28/h1-5,9-16,21,27,29,35H,6-8,17-20,32-33H2,(H,34,38)(H,36,37)/t27-,29+/m0/s1 > CBIJVIQVTMVQDZ-LMSSTIIKSA-N > 2.9 > 511.29472544 > C31H37N5O2 > 511.7 > C1=CC=C(C=C1)C(C(=O)NCCC2=CC=C(C=C2)CCCCN)NC(=O)C(CC3=CNC4=CC=CC=C43)N > C1=CC=C(C=C1)[C@H](C(=O)NCCC2=CC=C(C=C2)CCCCN)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N > 126 > 511.29472544 > 0 > 38 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 10 15 8 11 13 8 11 24 8 13 26 8 20 34 8 20 35 8 22 27 8 22 28 8 23 29 8 23 30 8 24 31 8 26 32 8 27 29 8 28 30 8 12 3 5 31 32 8 34 36 8 35 37 8 36 38 8 37 38 8 4 13 8 4 15 8 9 6 5 $$$$