71034476 -OEChem-05142416102D 118121 0 1 0 0 0 0 0999 V2000 16.4203 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1491 -0.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1276 -0.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7310 -0.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -2.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -2.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9951 3.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 3.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -1.6344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4848 -1.9663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0847 0.1410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -0.3520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3523 1.5040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.7150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.4317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9916 5.4317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5063 -2.1725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7740 -0.8095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3738 1.2977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7060 2.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 -0.8901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1957 -3.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4418 -1.5538 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8385 -1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7955 -1.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0166 2.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0632 0.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -0.5582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3488 3.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 -1.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8635 -3.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 -2.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1312 -2.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -1.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6595 4.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8420 -3.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5528 -4.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6630 2.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5098 -4.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2207 -5.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1992 -5.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6415 2.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 2.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 3.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6989 -1.5832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3807 -0.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7879 0.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1591 2.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3234 1.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9995 -1.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6487 -2.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8131 -3.6109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8559 -2.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8989 -2.4277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5636 2.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3992 3.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6706 0.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9813 -1.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8019 4.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9662 3.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7384 0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3525 0.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5169 -0.3018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0921 -0.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6954 0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9135 0.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7664 1.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9600 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3567 -3.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1386 -2.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5419 -2.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9386 -3.0937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7205 -2.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2064 4.3954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0420 5.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -3.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -2.7528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -2.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -2.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -1.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0346 -3.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9462 -4.9457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8344 -1.8091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -4.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1165 -4.2775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0281 -6.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9356 1.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6027 0.8813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -6.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1842 6.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3849 5.3038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6132 -5.8174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7694 2.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2482 2.7886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5136 3.2674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4388 3.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 2.4212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 4.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 99 1 0 0 0 0 2 24 2 0 0 0 0 3 25 2 0 0 0 0 4 27 2 0 0 0 0 5 30 2 0 0 0 0 6 36 2 0 0 0 0 7 44 2 0 0 0 0 8 58 1 0 0 0 0 8118 1 0 0 0 0 21 9 1 6 0 0 0 9 24 1 0 0 0 0 9 34 1 0 0 0 0 17 10 1 1 0 0 0 10 25 1 0 0 0 0 10 70 1 0 0 0 0 18 11 1 1 0 0 0 11 27 1 0 0 0 0 11 73 1 0 0 0 0 28 12 1 6 0 0 0 12 30 1 0 0 0 0 12 77 1 0 0 0 0 19 13 1 6 0 0 0 13 44 1 0 0 0 0 13 83 1 0 0 0 0 14 36 1 0 0 0 0 14 38 1 0 0 0 0 14 96 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 15105 1 0 0 0 0 16 37 1 0 0 0 0 16106 1 0 0 0 0 16107 1 0 0 0 0 17 22 1 0 0 0 0 17 24 1 0 0 0 0 17 61 1 0 0 0 0 18 23 1 0 0 0 0 18 25 1 0 0 0 0 18 62 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 19 63 1 0 0 0 0 20 26 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 30 1 0 0 0 0 21 33 1 0 0 0 0 21 66 1 0 0 0 0 22 31 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 23 35 1 0 0 0 0 23 69 1 0 0 0 0 26 29 1 0 0 0 0 26 71 1 0 0 0 0 26 72 1 0 0 0 0 28 32 1 0 0 0 0 28 36 1 0 0 0 0 28 74 1 0 0 0 0 29 37 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 31 42 2 0 0 0 0 31 43 1 0 0 0 0 32 40 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 35 89 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 39 1 0 0 0 0 38 92 1 0 0 0 0 38 93 1 0 0 0 0 39 41 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 40 50 2 0 0 0 0 40 51 1 0 0 0 0 41 45 1 0 0 0 0 41 47 2 0 0 0 0 42 48 1 0 0 0 0 42 97 1 0 0 0 0 43 49 2 0 0 0 0 43 98 1 0 0 0 0 44 54 1 0 0 0 0 45 46 1 0 0 0 0 45 53 2 0 0 0 0 46 55 2 0 0 0 0 47100 1 0 0 0 0 48 52 2 0 0 0 0 48101 1 0 0 0 0 49 52 1 0 0 0 0 49102 1 0 0 0 0 50 56 1 0 0 0 0 50103 1 0 0 0 0 51 57 2 0 0 0 0 51104 1 0 0 0 0 52108 1 0 0 0 0 53 59 1 0 0 0 0 53109 1 0 0 0 0 54110 1 0 0 0 0 54111 1 0 0 0 0 54112 1 0 0 0 0 55 60 1 0 0 0 0 55113 1 0 0 0 0 56 58 2 0 0 0 0 56114 1 0 0 0 0 57 58 1 0 0 0 0 57115 1 0 0 0 0 59 60 2 0 0 0 0 59116 1 0 0 0 0 60117 1 0 0 0 0 M END > 71034476 > 1 > 1410 > 9 > 9 > 22 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADDzhngY+xvPJkgCoAzV3VACCgCAxIiAI2aG+bJgKdvbCkbOUcAhm9hHY2AeYyOCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-2-acetamido-6-amino-N-[(1S)-1-[[(1S)-1-benzyl-2-[[(1S)-2-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]hexanamide > (2S)-2-acetamido-6-amino-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]hexanamide > (2S)-2-acetamido-6-amino-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]hexanamide > (2S)-2-acetamido-6-amino-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]hexanamide > (2S)-2-acetamido-6-azanyl-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]hexanamide > (2S)-2-acetamido-6-amino-N-[(1S)-1-[[(1S)-1-benzyl-2-[[(1S)-2-[[(1S)-1-(4-hydroxybenzyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]-methyl-amino]-2-keto-ethyl]carbamoyl]-2-hydroxy-propyl]hexanamide > InChI=1S/C44H58N8O8/c1-27(40(56)49-37(24-31-17-19-33(55)20-18-31)41(57)46-23-21-32-26-47-35-15-9-8-14-34(32)35)52(4)44(60)38(25-30-12-6-5-7-13-30)50-43(59)39(28(2)53)51-42(58)36(48-29(3)54)16-10-11-22-45/h5-9,12-15,17-20,26-28,36-39,47,53,55H,10-11,16,21-25,45H2,1-4H3,(H,46,57)(H,48,54)(H,49,56)(H,50,59)(H,51,58)/t27-,28?,36-,37-,38-,39-/m0/s1 > OKUQYAIPXWAVSL-PYGVDASPSA-N > 2.5 > 826.43776084 > C44H58N8O8 > 827.0 > CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C(C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCCC3=CNC4=CC=CC=C43)NC(=O)C(CCCCN)NC(=O)C)O > C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCCC2=CNC3=CC=CC=C32)N(C)C(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCCCN)NC(=O)C > 248 > 826.43776084 > 0 > 60 > 5 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 23 1 3 17 10 5 18 11 5 28 12 6 19 13 6 15 46 8 15 47 8 31 42 8 31 43 8 40 50 8 40 51 8 41 45 8 41 47 8 42 48 8 43 49 8 45 46 8 45 53 8 46 55 8 48 52 8 49 52 8 50 56 8 51 57 8 53 59 8 55 60 8 56 58 8 57 58 8 59 60 8 21 9 6 $$$$