70679356 -OEChem-03282409312D 113116 0 1 0 0 0 0 0999 V2000 6.3246 -0.1198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 3.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6388 -1.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 6.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5528 -0.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 5.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 3.8080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5779 -3.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2207 -1.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2922 -6.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 2.5256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 1.0370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 4.4266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.1911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -0.2454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2637 -1.7340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 6.5339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7920 5.4577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.5751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 1.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 4.2204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6353 0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 0.2927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6103 3.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -0.0392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1886 5.5834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -0.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 4.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 5.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 4.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2171 0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 5.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 -0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 4.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5743 -0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9315 -2.4783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1957 1.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6208 -3.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 4.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 4.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2887 -4.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5063 2.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8635 0.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9100 -2.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4848 2.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8420 0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2672 -3.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9780 -5.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1527 1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9350 -4.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6459 -5.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6244 -5.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 2.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 1.9885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 1.4562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 4.8097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 2.6534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4742 0.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7139 -0.6285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7745 6.0448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 1.6263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3301 4.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0877 4.2638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -0.3864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3613 5.3729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6037 5.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3135 3.9652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 5.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0218 5.5400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -1.7805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1966 1.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6033 0.9987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7354 -0.8347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 -0.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5884 -1.1457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9764 3.9733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7340 3.7257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3248 -2.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6570 -1.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0739 -3.1368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2383 -3.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 6.6617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0852 6.9954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5019 3.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0951 4.4198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0923 2.5295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6709 -0.2161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4462 -1.9915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3986 5.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3779 5.9192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6774 2.8636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2561 0.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4598 -3.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3714 -5.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7593 1.6578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 5.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5417 -4.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4533 -6.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1845 -2.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0996 -6.9954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 2 27 2 0 0 0 0 3 38 1 0 0 0 0 3101 1 0 0 0 0 4 36 2 0 0 0 0 5 37 2 0 0 0 0 6 41 2 0 0 0 0 7 49 1 0 0 0 0 7109 1 0 0 0 0 8 49 2 0 0 0 0 9 53 1 0 0 0 0 9112 1 0 0 0 0 10 53 2 0 0 0 0 11 61 1 0 0 0 0 11113 1 0 0 0 0 20 12 1 6 0 0 0 12 27 1 0 0 0 0 12 66 1 0 0 0 0 13 24 1 0 0 0 0 26 13 1 6 0 0 0 13 70 1 0 0 0 0 23 14 1 6 0 0 0 14 37 1 0 0 0 0 14 76 1 0 0 0 0 15 30 1 0 0 0 0 15 32 1 0 0 0 0 15 79 1 0 0 0 0 28 16 1 1 0 0 0 16 36 1 0 0 0 0 16 82 1 0 0 0 0 17 41 1 0 0 0 0 43 17 1 6 0 0 0 17 90 1 0 0 0 0 29 18 1 1 0 0 0 18 94 1 0 0 0 0 18 95 1 0 0 0 0 19 47 1 0 0 0 0 19102 1 0 0 0 0 19103 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 62 1 0 0 0 0 21 22 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 22 25 1 0 0 0 0 22 32 2 0 0 0 0 23 27 1 0 0 0 0 23 34 1 0 0 0 0 23 65 1 0 0 0 0 25 30 1 0 0 0 0 25 39 2 0 0 0 0 26 36 1 0 0 0 0 26 38 1 0 0 0 0 26 67 1 0 0 0 0 28 35 1 0 0 0 0 28 41 1 0 0 0 0 28 68 1 0 0 0 0 29 31 1 0 0 0 0 29 37 1 0 0 0 0 29 69 1 0 0 0 0 30 42 2 0 0 0 0 31 33 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 33 40 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 49 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 35 44 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 39 45 1 0 0 0 0 39 85 1 0 0 0 0 40 47 1 0 0 0 0 40 86 1 0 0 0 0 40 87 1 0 0 0 0 42 48 1 0 0 0 0 42 88 1 0 0 0 0 43 46 1 0 0 0 0 43 53 1 0 0 0 0 43 89 1 0 0 0 0 44 51 2 0 0 0 0 44 52 1 0 0 0 0 45 48 2 0 0 0 0 45 91 1 0 0 0 0 46 50 1 0 0 0 0 46 92 1 0 0 0 0 46 93 1 0 0 0 0 47 96 1 0 0 0 0 47 97 1 0 0 0 0 48 98 1 0 0 0 0 50 56 2 0 0 0 0 50 57 1 0 0 0 0 51 54 1 0 0 0 0 51 99 1 0 0 0 0 52 55 2 0 0 0 0 52100 1 0 0 0 0 54 58 2 0 0 0 0 54104 1 0 0 0 0 55 58 1 0 0 0 0 55105 1 0 0 0 0 56 59 1 0 0 0 0 56106 1 0 0 0 0 57 60 2 0 0 0 0 57107 1 0 0 0 0 58108 1 0 0 0 0 59 61 2 0 0 0 0 59110 1 0 0 0 0 60 61 1 0 0 0 0 60111 1 0 0 0 0 M END > 70679356 > 1 > 1470 > 13 > 12 > 24 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADCzhngY8zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7CkbOUcAhm9hHY2Ae/yeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (3S)-4-[[(1S)-2-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-3-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxo-butanoic acid > (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[[(2S)-2,6-diamino-1-oxohexyl]amino]-4-oxobutanoic acid > (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoic acid > (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoic acid > (3S)-3-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid > (3S)-4-[[(1S)-2-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-3-[[(2S)-2,6-diaminohexanoyl]amino]-4-keto-butyric acid > InChI=1S/C42H52N8O11/c43-17-7-6-11-29(44)37(55)46-33(21-36(53)54)40(58)48-32(20-26-22-45-30-12-5-4-10-28(26)30)39(57)50-35(23-51)41(59)47-31(18-24-8-2-1-3-9-24)38(56)49-34(42(60)61)19-25-13-15-27(52)16-14-25/h1-5,8-10,12-16,22,29,31-35,45,51-52H,6-7,11,17-21,23,43-44H2,(H,46,55)(H,47,59)(H,48,58)(H,49,56)(H,50,57)(H,53,54)(H,60,61)/t29-,31-,32-,33-,34-,35-/m0/s1 > ORAWTQLGAVSURU-LXOXETEGSA-N > -5 > 844.37555450 > C42H52N8O11 > 844.9 > C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)N > C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)N > 328 > 844.37555450 > 0 > 61 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 12 6 26 13 6 23 14 6 15 30 8 15 32 8 28 16 5 43 17 6 29 18 5 22 25 8 22 32 8 25 30 8 25 39 8 30 42 8 39 45 8 42 48 8 44 51 8 44 52 8 45 48 8 50 56 8 50 57 8 51 54 8 52 55 8 54 58 8 55 58 8 56 59 8 57 60 8 59 61 8 60 61 8 $$$$