71443879 -OEChem-05072423452D 91 93 0 1 0 0 0 0 0999 V2000 7.2601 2.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5456 3.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0563 7.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3496 -0.9277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3316 -2.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9995 -3.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6137 2.6682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8438 5.0455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6388 0.2291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7786 6.8501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6853 -2.4163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4141 -1.5463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7103 -4.8554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7533 -6.8773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8233 3.6460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9582 4.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2139 3.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6190 2.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2816 1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7376 4.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9709 0.9734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9924 0.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7581 5.4506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6817 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5661 4.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7032 -0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8643 6.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3281 -0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4803 5.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4598 3.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 -1.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9959 -1.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0424 -4.1111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0639 -4.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3531 -3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7533 -5.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8071 -5.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8071 -6.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3369 -6.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -5.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -7.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6888 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -5.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -6.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3566 -5.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3045 3.2550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3235 4.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4981 4.5631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8503 3.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6764 3.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 2.3748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7469 1.9587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7783 0.3841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9718 1.3868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3786 0.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3429 5.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2571 5.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 -0.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2956 -0.2707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2454 0.3569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9992 4.6102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6827 0.2301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0894 -0.3022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7315 4.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0472 5.5178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2291 5.8334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8433 3.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3940 3.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0763 3.8012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4131 -1.9598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0064 -1.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5428 -1.7578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3785 -0.9778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8444 7.4666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2795 6.4848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6491 -3.9832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0786 -2.5441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0434 -3.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4501 -4.2300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2214 -2.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5177 -5.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9569 -6.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9459 -7.4666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -4.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -7.6926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -5.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -6.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8952 -5.8075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7707 -5.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8181 -4.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 20 2 0 0 0 0 3 27 2 0 0 0 0 4 28 2 0 0 0 0 5 35 2 0 0 0 0 6 42 2 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 23 8 1 6 0 0 0 8 56 1 0 0 0 0 21 9 1 1 0 0 0 9 28 1 0 0 0 0 9 60 1 0 0 0 0 10 27 1 0 0 0 0 10 74 1 0 0 0 0 10 75 1 0 0 0 0 11 32 1 0 0 0 0 11 35 1 0 0 0 0 11 77 1 0 0 0 0 12 31 1 0 0 0 0 12 80 1 0 0 0 0 12 81 1 0 0 0 0 33 13 1 1 0 0 0 13 42 1 0 0 0 0 13 82 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 84 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 1 0 0 0 15 46 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 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 23 57 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 25 61 1 0 0 0 0 26 31 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 28 32 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 76 1 0 0 0 0 34 36 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 36 37 1 0 0 0 0 36 39 2 0 0 0 0 37 38 1 0 0 0 0 37 40 2 0 0 0 0 38 41 2 0 0 0 0 39 83 1 0 0 0 0 40 43 1 0 0 0 0 40 85 1 0 0 0 0 41 44 1 0 0 0 0 41 86 1 0 0 0 0 42 45 1 0 0 0 0 43 44 2 0 0 0 0 43 87 1 0 0 0 0 44 88 1 0 0 0 0 45 89 1 0 0 0 0 45 90 1 0 0 0 0 45 91 1 0 0 0 0 M END > 71443879 > 1 > 1070 > 7 > 7 > 16 > AAADcfB7+AAAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAFgB8AAAHgAQAAAADSjBngQ+wPPJkACoAzV3VACCgCAxAiAI2aG4ZJgIYPLAkbGUIAhglgDIyAcYicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2S)-1-[(2S)-2-[[2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-6-amino-hexanoyl]-N-[(1S)-1-carbamoyl-2-methyl-propyl]pyrrolidine-2-carboxamide > (2S)-1-[(2S)-2-[[2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-6-amino-1-oxohexyl]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-pyrrolidinecarboxamide > (2S)-1-[(2S)-2-[[2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-6-aminohexanoyl]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide > (2S)-1-[(2S)-2-[[2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-6-aminohexanoyl]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide > (2S)-1-[(2S)-2-[2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]-6-azanyl-hexanoyl]-N-[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxamide > (2S)-1-[(2S)-2-[[2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-6-amino-hexanoyl]-N-[(1S)-1-carbamoyl-2-methyl-propyl]pyrrolidine-2-carboxamide > InChI=1S/C31H46N8O6/c1-18(2)27(28(33)42)38-30(44)25-12-8-14-39(25)31(45)23(11-6-7-13-32)37-26(41)17-35-29(43)24(36-19(3)40)15-20-16-34-22-10-5-4-9-21(20)22/h4-5,9-10,16,18,23-25,27,34H,6-8,11-15,17,32H2,1-3H3,(H2,33,42)(H,35,43)(H,36,40)(H,37,41)(H,38,44)/t23-,24-,25-,27-/m0/s1 > SQFZAHSHBLVNCN-XLXZRNDBSA-N > -0.1 > 626.35403122 > C31H46N8O6 > 626.7 > CC(C)C(C(=O)N)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C > CC(C)[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C > 222 > 626.35403122 > 0 > 45 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 33 13 5 14 38 8 14 39 8 15 20 5 36 37 8 36 39 8 37 38 8 37 40 8 38 41 8 40 43 8 41 44 8 43 44 8 23 8 6 21 9 5 $$$$