71543147 -OEChem-04252409272D 105107 0 1 0 0 0 0 0999 V2000 6.3246 -1.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -0.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1957 -0.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2637 -3.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 4.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 1.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5779 -4.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9315 -4.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 5.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 4.1328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8706 -5.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.8260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.6626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -2.1084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.0541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 2.5637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5528 -2.4402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 2.9761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 3.6398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -1.5703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9710 -2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1772 -3.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.2879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -1.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4329 -4.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1277 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -1.9022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9209 2.3574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -2.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 3.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2171 -0.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5743 -2.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2207 -3.1845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 -1.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1992 -2.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 3.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 3.7204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2746 2.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8670 -3.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9100 -4.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 4.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8455 -3.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5564 -4.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 4.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5134 -4.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2242 -5.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2027 -5.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4742 -0.9810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4831 -2.1383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5901 -2.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5879 -3.3067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 0.1736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 -0.2367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0188 -3.7057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9714 -4.5812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 -4.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9351 -4.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7170 -4.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3203 -3.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 0.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7354 -2.6977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4924 -1.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 2.9468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.6434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 3.4294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0218 3.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1966 -0.3320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6033 -0.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3135 2.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6140 -3.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7454 -1.8509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7255 -2.6507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9679 -2.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9960 3.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3883 -0.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4787 5.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8854 4.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4631 3.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6638 2.3868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0381 -2.9271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9497 -4.8010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.5120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7993 4.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1201 -4.1328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0316 -6.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3853 -5.4687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3951 5.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4772 -5.8277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 2 0 0 0 0 2 28 2 0 0 0 0 3 36 2 0 0 0 0 4 39 1 0 0 0 0 4 92 1 0 0 0 0 5 40 2 0 0 0 0 6 46 2 0 0 0 0 7 48 2 0 0 0 0 8 50 1 0 0 0 0 8103 1 0 0 0 0 9 50 2 0 0 0 0 10 54 1 0 0 0 0 10104 1 0 0 0 0 11 54 2 0 0 0 0 12 57 1 0 0 0 0 12105 1 0 0 0 0 21 13 1 6 0 0 0 13 26 1 0 0 0 0 13 65 1 0 0 0 0 24 14 1 6 0 0 0 14 36 1 0 0 0 0 14 72 1 0 0 0 0 15 28 1 0 0 0 0 32 15 1 1 0 0 0 15 73 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 77 1 0 0 0 0 33 17 1 6 0 0 0 17 46 1 0 0 0 0 17 84 1 0 0 0 0 18 40 1 0 0 0 0 42 18 1 1 0 0 0 18 86 1 0 0 0 0 47 19 1 6 0 0 0 19 95 1 0 0 0 0 19 96 1 0 0 0 0 20 48 1 0 0 0 0 20 99 1 0 0 0 0 20100 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 29 1 0 0 0 0 23 30 1 0 0 0 0 23 61 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 62 1 0 0 0 0 25 27 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 27 31 1 0 0 0 0 27 35 2 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 34 1 0 0 0 0 31 37 2 0 0 0 0 32 39 1 0 0 0 0 32 40 1 0 0 0 0 32 74 1 0 0 0 0 33 36 1 0 0 0 0 33 38 1 0 0 0 0 33 75 1 0 0 0 0 34 41 2 0 0 0 0 35 76 1 0 0 0 0 37 43 1 0 0 0 0 37 78 1 0 0 0 0 38 48 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 41 44 1 0 0 0 0 41 83 1 0 0 0 0 42 45 1 0 0 0 0 42 50 1 0 0 0 0 42 85 1 0 0 0 0 43 44 2 0 0 0 0 43 87 1 0 0 0 0 44 88 1 0 0 0 0 45 49 1 0 0 0 0 45 89 1 0 0 0 0 45 90 1 0 0 0 0 46 47 1 0 0 0 0 47 51 1 0 0 0 0 47 91 1 0 0 0 0 49 52 2 0 0 0 0 49 53 1 0 0 0 0 51 54 1 0 0 0 0 51 93 1 0 0 0 0 51 94 1 0 0 0 0 52 55 1 0 0 0 0 52 97 1 0 0 0 0 53 56 2 0 0 0 0 53 98 1 0 0 0 0 55 57 2 0 0 0 0 55101 1 0 0 0 0 56 57 1 0 0 0 0 56102 1 0 0 0 0 M END > 71543147 > 1 > 1440 > 13 > 12 > 22 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAQCAAADSzhngY+zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7C0bOUcAhm9hHY2Ae/yeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (3S)-3-amino-4-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-4-oxo-butanoic acid > (3S)-3-amino-4-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid > (3S)-3-amino-4-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid > (3S)-3-amino-4-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid > (3S)-3-azanyl-4-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanylidene-butanoic acid > (3S)-3-amino-4-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-3-keto-propyl]amino]-4-keto-butyric acid > InChI=1S/C37H48N8O12/c1-18(2)11-25(33(52)45-29(17-46)36(55)44-28(37(56)57)12-19-7-9-21(47)10-8-19)42-34(53)26(13-20-16-40-24-6-4-3-5-22(20)24)43-35(54)27(15-30(39)48)41-32(51)23(38)14-31(49)50/h3-10,16,18,23,25-29,40,46-47H,11-15,17,38H2,1-2H3,(H2,39,48)(H,41,51)(H,42,53)(H,43,54)(H,44,55)(H,45,52)(H,49,50)(H,56,57)/t23-,25-,26-,27-,28-,29-/m0/s1 > DGXXTTDMGBBLTB-DHPWCFLCSA-N > -4.3 > 796.33916900 > C37H48N8O12 > 796.8 > CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)N > CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)N > 346 > 796.33916900 > 0 > 57 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 21 13 6 24 14 6 32 15 5 16 34 8 16 35 8 33 17 6 42 18 5 47 19 6 27 31 8 27 35 8 31 34 8 31 37 8 34 41 8 37 43 8 41 44 8 43 44 8 49 52 8 49 53 8 52 55 8 53 56 8 55 57 8 56 57 8 $$$$