71460100 -OEChem-04232406532D 109113 0 1 0 0 0 0 0999 V2000 8.2282 1.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3661 5.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6713 4.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2497 1.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 0.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0286 -2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4673 7.3161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7214 -6.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8961 0.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2532 -1.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 2.9759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6034 1.6130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 -1.0324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6749 -3.4715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0751 -7.1882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0106 -4.9601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5174 2.4378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8280 3.3884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1852 1.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8066 3.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1637 1.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4744 2.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5389 2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6218 4.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8925 2.7697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2247 3.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5819 1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5354 4.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2927 0.6624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3142 0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9605 -0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3177 -1.7767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5138 4.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 5.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2962 -1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 1.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3642 -4.4220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0071 -2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3857 -4.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8245 5.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1782 6.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0751 -5.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1567 6.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6069 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1288 -5.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 2.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0321 -5.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1288 -6.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6587 -6.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2628 -5.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 2.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5854 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2628 -7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 2.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3968 -5.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3968 -6.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6784 -5.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1033 2.8993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2090 3.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6589 1.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4165 1.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3329 3.9222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5753 4.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1843 1.2801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7776 1.8124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0213 2.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8570 3.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0637 3.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3066 2.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6778 3.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 3.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9555 4.8421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1893 2.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8786 1.1239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7878 0.1286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5454 -0.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 -1.9045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9279 4.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2608 5.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0432 -1.1602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3168 -2.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9100 -1.6578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9709 -4.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3652 -4.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7719 -4.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4312 5.7491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7641 6.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2816 -3.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5863 -0.0003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9931 -0.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 2.2789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2787 -6.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2677 -7.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2628 -4.7635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 3.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 1.6107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2628 -8.0035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2032 -4.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 3.1506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8599 -5.5735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0533 7.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8599 -7.1935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2170 -6.1185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0925 -6.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1399 -5.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5027 0.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 24 1 0 0 0 0 2 74 1 0 0 0 0 3 24 2 0 0 0 0 4 27 2 0 0 0 0 5 31 2 0 0 0 0 6 38 2 0 0 0 0 7 43 1 0 0 0 0 7104 1 0 0 0 0 8 48 2 0 0 0 0 9 54 1 0 0 0 0 9109 1 0 0 0 0 10 54 2 0 0 0 0 11 23 1 0 0 0 0 25 11 1 6 0 0 0 11 70 1 0 0 0 0 12 27 1 0 0 0 0 29 12 1 6 0 0 0 12 75 1 0 0 0 0 13 31 1 0 0 0 0 32 13 1 1 0 0 0 13 82 1 0 0 0 0 37 14 1 1 0 0 0 14 38 1 0 0 0 0 14 90 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 15 96 1 0 0 0 0 16 48 1 0 0 0 0 16 59 1 0 0 0 0 16101 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 17 60 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 1 0 0 0 18 61 1 0 0 0 0 19 21 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 22 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 22 1 0 0 0 0 21 66 1 0 0 0 0 21 67 1 0 0 0 0 22 68 1 0 0 0 0 22 69 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 71 1 0 0 0 0 26 28 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 28 33 2 0 0 0 0 28 34 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 76 1 0 0 0 0 30 36 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 32 35 1 0 0 0 0 32 38 1 0 0 0 0 32 79 1 0 0 0 0 33 40 1 0 0 0 0 33 80 1 0 0 0 0 34 41 2 0 0 0 0 34 81 1 0 0 0 0 35 44 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 46 2 0 0 0 0 36 47 1 0 0 0 0 37 39 1 0 0 0 0 37 48 1 0 0 0 0 37 85 1 0 0 0 0 39 42 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 40 43 2 0 0 0 0 40 88 1 0 0 0 0 41 43 1 0 0 0 0 41 89 1 0 0 0 0 42 45 1 0 0 0 0 42 50 2 0 0 0 0 44 54 1 0 0 0 0 44 91 1 0 0 0 0 44 92 1 0 0 0 0 45 49 1 0 0 0 0 45 51 2 0 0 0 0 46 52 1 0 0 0 0 46 93 1 0 0 0 0 47 53 2 0 0 0 0 47 94 1 0 0 0 0 49 55 2 0 0 0 0 50 95 1 0 0 0 0 51 57 1 0 0 0 0 51 97 1 0 0 0 0 52 56 2 0 0 0 0 52 98 1 0 0 0 0 53 56 1 0 0 0 0 53 99 1 0 0 0 0 55 58 1 0 0 0 0 55100 1 0 0 0 0 56102 1 0 0 0 0 57 58 2 0 0 0 0 57103 1 0 0 0 0 58105 1 0 0 0 0 59106 1 0 0 0 0 59107 1 0 0 0 0 59108 1 0 0 0 0 M END > 71460100 > 1 > 1470 > 10 > 9 > 19 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgB9AAAHgAQCAAADSzBngQ+zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgIZvLCkbOUcAhk1hHI2Ae/3+KOoAAAAAACAABAAAAAACQAAAAAAAAAAA== > (1S,2S)-2-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-3-carboxy-1-[[(1R)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxo-ethyl]carbamoyl]propyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]cyclohexanecarboxylic acid > (1S,2S)-2-[[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2R)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid > (1S,2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2R)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid > (1S,2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2R)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid > (1S,2S)-2-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-1-[[(2R)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid > (1S,2S)-2-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-3-carboxy-1-[[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-(methylamino)ethyl]carbamoyl]propyl]amino]-2-keto-ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]cyclohexanecarboxylic acid > InChI=1S/C43H50N6O10/c1-44-39(54)36(23-27-24-45-32-14-8-7-11-29(27)32)49-40(55)33(19-20-37(51)52)46-41(56)35(21-25-9-3-2-4-10-25)48-42(57)34(22-26-15-17-28(50)18-16-26)47-38(53)30-12-5-6-13-31(30)43(58)59/h2-4,7-11,14-18,24,30-31,33-36,45,50H,5-6,12-13,19-23H2,1H3,(H,44,54)(H,46,56)(H,47,53)(H,48,57)(H,49,55)(H,51,52)(H,58,59)/t30-,31-,33-,34-,35-,36+/m0/s1 > GGMYTHQKZOPJLP-JHMFZKJSSA-N > 3.6 > 810.35884181 > C43H50N6O10 > 810.9 > CNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C5CCCCC5C(=O)O > CNC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H]5CCCC[C@@H]5C(=O)O > 256 > 810.35884181 > 0 > 59 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 25 11 6 29 12 6 32 13 5 37 14 5 15 49 8 15 50 8 17 23 6 18 24 5 28 33 8 28 34 8 33 40 8 34 41 8 36 46 8 36 47 8 40 43 8 41 43 8 42 45 8 42 50 8 45 49 8 45 51 8 46 52 8 47 53 8 49 55 8 51 57 8 52 56 8 53 56 8 55 58 8 57 58 8 $$$$