74333491 -OEChem-04192401362D 123125 0 1 0 0 0 0 0999 V2000 4.7748 -2.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4676 -5.8308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6853 0.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9744 1.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9959 1.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0710 -5.9564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7138 -4.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4141 1.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2206 3.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7032 2.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9350 -0.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2136 7.6022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4211 -3.1854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3961 -0.7463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7568 -4.6740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3496 1.8991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 3.2620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9314 1.9796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8213 -6.9021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5563 1.6478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0639 -1.4906 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0424 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1105 -4.1359 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1320 -4.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7533 -2.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4247 -5.4183 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1140 -6.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8213 -5.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7783 -4.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0389 0.9485 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2636 2.7239 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7818 -7.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6388 3.0558 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5743 3.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3531 -0.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7103 -2.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7068 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 -5.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9709 3.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2851 2.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3281 2.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4049 -6.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 -6.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4712 -8.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7603 -6.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5528 3.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9064 4.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4032 -5.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -5.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2816 4.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -7.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9100 2.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -5.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5778 1.4416 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3926 1.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -6.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6137 5.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2601 4.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2671 0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9244 6.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5707 5.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9029 6.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2566 -0.9013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6491 -1.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6964 -3.6745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1114 -3.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 -4.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0278 -3.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8180 -5.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7894 -0.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5671 -6.0768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7314 -6.8567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6456 1.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0710 2.1346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1752 -7.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8314 3.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9676 3.5466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9424 -0.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5457 0.2555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7638 -0.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2488 -2.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 -2.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1718 -1.6146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9494 -4.0847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 4.0921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5884 3.3122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 2.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8099 3.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0249 -6.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 0.4147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 0.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8818 -7.8710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2786 -8.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0605 -8.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8882 -7.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3670 -6.7791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6325 -6.3002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7388 1.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 -7.4914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6806 3.2740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1594 4.0085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4249 4.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3679 4.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4924 4.8802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4450 4.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -4.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -7.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 -5.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7704 2.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 -6.9074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 5.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6741 4.4954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7202 0.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8846 0.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6777 -5.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5103 6.9069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1774 6.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9704 1.1863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7489 2.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7424 -0.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7995 8.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 2 0 0 0 0 2 29 2 0 0 0 0 3 37 2 0 0 0 0 4 40 2 0 0 0 0 5 41 2 0 0 0 0 6 49 1 0 0 0 0 6116 1 0 0 0 0 7 49 2 0 0 0 0 8 56 1 0 0 0 0 8121 1 0 0 0 0 9 53 2 0 0 0 0 10 56 2 0 0 0 0 11 60 1 0 0 0 0 11122 1 0 0 0 0 12 63 1 0 0 0 0 12123 1 0 0 0 0 13 23 1 0 0 0 0 13 25 1 0 0 0 0 13 69 1 0 0 0 0 14 21 1 0 0 0 0 14 37 1 0 0 0 0 14 71 1 0 0 0 0 15 26 1 0 0 0 0 15 29 1 0 0 0 0 15 85 1 0 0 0 0 16 30 1 0 0 0 0 16 41 1 0 0 0 0 16 88 1 0 0 0 0 17 33 1 0 0 0 0 17 40 1 0 0 0 0 17 89 1 0 0 0 0 18 31 1 0 0 0 0 18 53 1 0 0 0 0 18 99 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19100 1 0 0 0 0 20 55 1 0 0 0 0 20119 1 0 0 0 0 20120 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 64 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 65 1 0 0 0 0 23 24 1 0 0 0 0 23 29 1 0 0 0 0 23 66 1 0 0 0 0 24 28 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 70 1 0 0 0 0 27 32 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 38 1 0 0 0 0 28 42 2 0 0 0 0 30 37 1 0 0 0 0 30 44 1 0 0 0 0 30 74 1 0 0 0 0 31 34 1 0 0 0 0 31 40 1 0 0 0 0 31 75 1 0 0 0 0 32 45 1 0 0 0 0 32 46 1 0 0 0 0 32 76 1 0 0 0 0 33 39 1 0 0 0 0 33 41 1 0 0 0 0 33 77 1 0 0 0 0 34 47 1 0 0 0 0 34 48 1 0 0 0 0 34 78 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 36 84 1 0 0 0 0 38 43 1 0 0 0 0 38 50 2 0 0 0 0 39 51 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 42 90 1 0 0 0 0 43 52 2 0 0 0 0 44 56 1 0 0 0 0 44 91 1 0 0 0 0 44 92 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 45 95 1 0 0 0 0 46 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 47103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 50 54 1 0 0 0 0 50107 1 0 0 0 0 51 58 2 0 0 0 0 51 59 1 0 0 0 0 52 57 1 0 0 0 0 52108 1 0 0 0 0 53 55 1 0 0 0 0 54 57 2 0 0 0 0 54109 1 0 0 0 0 55 60 1 0 0 0 0 55110 1 0 0 0 0 57111 1 0 0 0 0 58 61 1 0 0 0 0 58112 1 0 0 0 0 59 62 2 0 0 0 0 59113 1 0 0 0 0 60114 1 0 0 0 0 60115 1 0 0 0 0 61 63 2 0 0 0 0 61117 1 0 0 0 0 62 63 1 0 0 0 0 62118 1 0 0 0 0 M END > 74333491 > 1 > 1590 > 13 > 12 > 24 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAQCAAADSzhngY+zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7CkbOUcAhm9hHY2Ae/yeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxy-propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoic acid > 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-carboxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methylpentanoic acid > 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid > 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid > 2-[[2-[[2-[[2-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoic acid > 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxy-propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-valeric acid > InChI=1S/C43H60N8O12/c1-21(2)15-33(43(62)63)49-39(58)31(17-25-19-45-29-10-8-7-9-27(25)29)48-42(61)36(23(5)6)51-40(59)32(18-34(54)55)46-38(57)30(16-24-11-13-26(53)14-12-24)47-41(60)35(22(3)4)50-37(56)28(44)20-52/h7-14,19,21-23,28,30-33,35-36,45,52-53H,15-18,20,44H2,1-6H3,(H,46,57)(H,47,60)(H,48,61)(H,49,58)(H,50,56)(H,51,59)(H,54,55)(H,62,63) > VIOMKXHIOSTNNA-UHFFFAOYSA-N > -1.1 > 880.43306938 > C43H60N8O12 > 881.0 > CC(C)CC(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(C(C)C)NC(=O)C(CO)N > CC(C)CC(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(C(C)C)NC(=O)C(CO)N > 332 > 880.43306938 > 0 > 63 > 0 > 7 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 42 8 19 43 8 55 20 3 21 22 3 23 24 3 26 27 3 28 38 8 28 42 8 30 44 3 31 34 3 33 39 3 38 43 8 38 50 8 43 52 8 50 54 8 51 58 8 51 59 8 52 57 8 54 57 8 58 61 8 59 62 8 61 63 8 62 63 8 $$$$