71241293 -OEChem-05042417492D 120124 0 1 0 0 0 0 0999 V2000 6.2120 -1.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7933 0.1664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 -1.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0687 -4.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3825 0.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4070 -5.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3768 0.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3599 0.5494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5181 6.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2098 -0.5353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3472 -2.2127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6739 -2.7761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 1.9949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7910 -4.4666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5200 -6.6252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5609 2.5904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3865 -7.0445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5496 2.3779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5172 -1.4869 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7071 -2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8991 -1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2098 -0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0892 -2.8831 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9561 -2.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7556 -1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7499 -1.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6244 -3.0867 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4677 -1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3687 -2.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3938 1.1869 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8306 -4.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3995 1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9830 -3.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9943 2.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5200 -5.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5738 -5.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5835 3.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9774 1.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1036 -5.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6847 -5.4609 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5665 2.6967 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5738 -6.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7078 -4.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1614 3.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7705 -5.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7078 -6.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4927 -6.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -5.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -6.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7506 4.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9660 1.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9604 1.5699 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3454 5.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7449 4.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3655 0.6557 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9346 6.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3341 5.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7764 -0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9289 6.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9563 -1.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2915 -2.5333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1212 -2.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3332 -1.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5882 -2.0205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2757 0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6036 -0.4036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5100 -3.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2073 -2.9514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5461 -2.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8855 -0.6936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1662 -1.1072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3666 -1.3423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7510 -0.7861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4966 -2.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0103 1.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3186 -4.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2116 -4.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 1.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 0.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 2.7743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7318 2.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3578 -4.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0659 2.9302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3835 2.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 1.6972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0845 2.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9488 3.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0826 3.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7236 -5.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2516 -5.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8177 2.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7126 -7.2145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7078 -4.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7315 4.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6468 3.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5193 -5.2993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2036 -6.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0217 -6.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7078 -7.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9262 3.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3048 -5.0105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3048 -6.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5769 1.5041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8874 -7.4098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8196 -7.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7289 5.3991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9961 3.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6167 0.0889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6834 6.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9506 5.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1661 2.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2984 2.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2754 0.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4110 -0.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2773 -0.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6111 -0.0174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2669 7.4098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 2 0 0 0 0 2 29 2 0 0 0 0 3 30 2 0 0 0 0 4 34 2 0 0 0 0 5 40 2 0 0 0 0 6 49 2 0 0 0 0 7 53 2 0 0 0 0 8 57 1 0 0 0 0 8119 1 0 0 0 0 9 61 1 0 0 0 0 9120 1 0 0 0 0 10 19 1 0 0 0 0 10 22 1 0 0 0 0 10 29 1 0 0 0 0 11 23 1 0 0 0 0 11 25 1 0 0 0 0 11 30 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 78 1 0 0 0 0 13 31 1 0 0 0 0 13 40 1 0 0 0 0 13 84 1 0 0 0 0 14 34 1 0 0 0 0 14 42 1 0 0 0 0 14 85 1 0 0 0 0 15 41 1 0 0 0 0 15 44 1 0 0 0 0 15 95 1 0 0 0 0 16 43 1 0 0 0 0 16 53 1 0 0 0 0 16103 1 0 0 0 0 17 49 1 0 0 0 0 17107 1 0 0 0 0 17108 1 0 0 0 0 18 54 1 0 0 0 0 18114 1 0 0 0 0 18115 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 19 62 1 0 0 0 0 20 21 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 22 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 23 69 1 0 0 0 0 24 26 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 26 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 27 30 1 0 0 0 0 27 32 1 0 0 0 0 27 76 1 0 0 0 0 29 31 1 0 0 0 0 31 33 1 0 0 0 0 31 77 1 0 0 0 0 32 36 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 35 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 35 38 1 0 0 0 0 35 39 1 0 0 0 0 35 83 1 0 0 0 0 36 37 1 0 0 0 0 36 41 2 0 0 0 0 37 44 1 0 0 0 0 37 45 2 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 40 43 1 0 0 0 0 41 92 1 0 0 0 0 42 47 1 0 0 0 0 42 49 1 0 0 0 0 42 93 1 0 0 0 0 43 46 1 0 0 0 0 43 94 1 0 0 0 0 44 48 2 0 0 0 0 45 50 1 0 0 0 0 45 96 1 0 0 0 0 46 52 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 47 99 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 48 51 1 0 0 0 0 48102 1 0 0 0 0 50 51 2 0 0 0 0 50104 1 0 0 0 0 51105 1 0 0 0 0 52 55 2 0 0 0 0 52 56 1 0 0 0 0 53 54 1 0 0 0 0 54 57 1 0 0 0 0 54106 1 0 0 0 0 55 58 1 0 0 0 0 55109 1 0 0 0 0 56 59 2 0 0 0 0 56110 1 0 0 0 0 57 60 1 0 0 0 0 57111 1 0 0 0 0 58 61 2 0 0 0 0 58112 1 0 0 0 0 59 61 1 0 0 0 0 59113 1 0 0 0 0 60116 1 0 0 0 0 60117 1 0 0 0 0 60118 1 0 0 0 0 M END > 71241293 > 1 > 1570 > 10 > 9 > 18 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWLFgAAwYAAAAAAAAFgB9AAAHgAQCAAADTzhngY+xvPJkgCoAzV3VACCgCAxIiAI2aG+bJgKdvbCkbOUcAhm9hHI2AeYyeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 1-[2-[[1-[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]-N-(2-amino-1-methyl-2-oxo-ethyl)pyrrolidine-2-carboxamide > 1-[2-[[[1-[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-N-(1-amino-1-oxopropan-2-yl)-2-pyrrolidinecarboxamide > 1-[2-[[1-[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide > 1-[2-[[1-[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide > 1-[2-[[1-[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoyl]-N-(1-azanyl-1-oxidanylidene-propan-2-yl)pyrrolidine-2-carboxamide > 1-[2-[[1-[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]prolyl]amino]-3-(1H-indol-3-yl)propanoyl]-N-(2-amino-2-keto-1-methyl-ethyl)pyrrolidine-2-carboxamide > InChI=1S/C43H59N9O9/c1-23(2)19-32(49-38(56)31(48-41(59)36(44)25(4)53)20-26-13-15-28(54)16-14-26)42(60)52-18-8-12-35(52)40(58)50-33(21-27-22-46-30-10-6-5-9-29(27)30)43(61)51-17-7-11-34(51)39(57)47-24(3)37(45)55/h5-6,9-10,13-16,22-25,31-36,46,53-54H,7-8,11-12,17-21,44H2,1-4H3,(H2,45,55)(H,47,57)(H,48,59)(H,49,56)(H,50,58) > LMUPQZFOXNKZRY-UHFFFAOYSA-N > 1.4 > 845.44357449 > C43H59N9O9 > 846.0 > CC(C)CC(C(=O)N1CCCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N4CCCC4C(=O)NC(C)C(=O)N)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)O)N > CC(C)CC(C(=O)N1CCCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N4CCCC4C(=O)NC(C)C(=O)N)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)O)N > 282 > 845.44357449 > 0 > 61 > 0 > 8 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 41 8 15 44 8 54 18 3 19 28 3 23 34 3 27 32 3 31 33 3 36 37 8 36 41 8 37 44 8 37 45 8 42 47 3 43 46 3 44 48 8 45 50 8 48 51 8 50 51 8 52 55 8 52 56 8 55 58 8 56 59 8 58 61 8 59 61 8 57 8 3 $$$$