71551376 -OEChem-05092417282D 82 86 0 1 0 0 0 0 0999 V2000 6.3246 -2.3228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.3226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.1660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5143 5.0110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 2.2236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2242 -5.7575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.6280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.0174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2531 2.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 3.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9801 4.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5707 5.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -1.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -2.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9315 -4.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2637 -3.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 4.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9100 -4.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1671 6.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5779 -5.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6173 -3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5743 -2.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2852 -4.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5824 5.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 6.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5564 -5.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -0.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.2145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.7468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 2.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7062 3.0537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8705 2.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 0.4504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7553 -2.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5129 -2.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 -0.5767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.9835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7865 -1.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0289 -1.1289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0103 3.6508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0177 5.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3135 1.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0920 2.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4052 -5.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1628 -5.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4364 -4.1475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6788 -3.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6198 4.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5333 6.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0515 -5.5471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8091 -5.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0991 -1.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 -3.5268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1810 -2.8587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0926 -4.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 5.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9228 6.9141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0827 -4.6856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3251 -4.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8309 -5.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0316 -6.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 2 0 0 0 0 9 3 1 6 0 0 0 3 17 1 0 0 0 0 3 49 1 0 0 0 0 4 16 1 0 0 0 0 4 21 1 0 0 0 0 4 53 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 54 1 0 0 0 0 6 22 1 0 0 0 0 6 24 1 0 0 0 0 6 59 1 0 0 0 0 12 7 1 6 0 0 0 7 60 1 0 0 0 0 7 61 1 0 0 0 0 8 42 1 0 0 0 0 8 81 1 0 0 0 0 8 82 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 14 1 0 0 0 0 11 19 2 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 46 1 0 0 0 0 13 15 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 18 1 0 0 0 0 14 25 2 0 0 0 0 15 20 1 0 0 0 0 15 24 2 0 0 0 0 18 27 2 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 30 2 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 32 2 0 0 0 0 23 26 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 25 33 1 0 0 0 0 25 58 1 0 0 0 0 26 36 2 0 0 0 0 26 37 1 0 0 0 0 27 35 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 38 2 0 0 0 0 29 39 1 0 0 0 0 30 40 1 0 0 0 0 30 67 1 0 0 0 0 31 34 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 41 1 0 0 0 0 32 68 1 0 0 0 0 33 35 2 0 0 0 0 33 69 1 0 0 0 0 34 42 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 74 1 0 0 0 0 36 38 1 0 0 0 0 36 72 1 0 0 0 0 37 39 2 0 0 0 0 37 73 1 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 40 41 2 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 M END > 71551376 > 1 > 848 > 4 > 6 > 14 > AAADcfB/sAAAAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/gAAHgAQAAAADCjBngQ8wPLJkACoAzV3VACCgCAxAiAI2aG4ZJgIYPLAkbGUIAhglgDIyAcYicCOwAAAAAACAACAAAAAAAQAAAAAAAAAAA== > (2S)-2-amino-N-[(1S)-2-[2-[4-(4-aminobutyl)phenyl]ethylamino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-3-(1H-indol-3-yl)propanamide > (2S)-2-amino-N-[(2S)-1-[2-[4-(4-aminobutyl)phenyl]ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide > (2S)-2-amino-N-[(2S)-1-[2-[4-(4-aminobutyl)phenyl]ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide > (2S)-2-amino-N-[(2S)-1-[2-[4-(4-aminobutyl)phenyl]ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide > (2S)-2-azanyl-N-[(2S)-1-[2-[4-(4-azanylbutyl)phenyl]ethylamino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-3-(1H-indol-3-yl)propanamide > (2S)-2-amino-N-[(1S)-2-[2-[4-(4-aminobutyl)phenyl]ethylamino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-3-(1H-indol-3-yl)propionamide > InChI=1S/C34H40N6O2/c35-17-6-5-7-23-12-14-24(15-13-23)16-18-37-34(42)32(20-26-22-39-31-11-4-2-9-28(26)31)40-33(41)29(36)19-25-21-38-30-10-3-1-8-27(25)30/h1-4,8-15,21-22,29,32,38-39H,5-7,16-20,35-36H2,(H,37,42)(H,40,41)/t29-,32-/m0/s1 > GNEQGXITEXLELW-NYDCQLBNSA-N > 3.8 > 564.32127454 > C34H40N6O2 > 564.7 > C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCCC5=CC=C(C=C5)CCCCN)N > C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCCC5=CC=C(C=C5)CCCCN)N > 142 > 564.32127454 > 0 > 42 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 14 8 11 19 8 14 18 8 14 25 8 15 20 8 15 24 8 18 27 8 20 22 8 20 30 8 22 32 8 25 33 8 26 36 8 26 37 8 27 35 8 29 38 8 29 39 8 9 3 6 30 40 8 32 41 8 33 35 8 36 38 8 37 39 8 40 41 8 5 18 8 5 19 8 6 22 8 6 24 8 12 7 6 $$$$