73211256 -OEChem-05052412132D 96 98 0 1 0 0 0 0 0999 V2000 7.2566 2.9144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 2.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6173 -1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2852 -1.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 6.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 4.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9745 -2.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5564 -2.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1312 1.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2672 -3.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 6.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6889 -6.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 1.0133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 0.6815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.0086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5743 -0.6009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 3.4525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6208 -3.2462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3532 -4.6092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 5.7659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.7576 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9889 1.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 0.1434 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 0.4753 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2781 2.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2171 1.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9315 -2.2957 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9209 4.4030 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 -0.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1957 1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2637 -1.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9100 -2.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 4.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5063 2.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8635 0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 5.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6423 -3.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3317 -4.4030 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.4848 2.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8420 0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5779 -2.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 5.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1527 1.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9995 -5.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 1.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 2.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 1.6388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7139 -0.4459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6957 0.0138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 0.4240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1966 1.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6033 1.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -0.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4528 1.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1810 -0.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -1.5979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3248 -2.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 3.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3142 4.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3816 -0.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7784 -1.0646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5603 -0.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4364 -1.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6788 -1.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 3.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 4.5219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0349 -3.7077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0923 2.7121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6709 -0.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9176 -3.9415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6774 3.0462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2561 0.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5464 -5.4393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3821 -4.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1606 -5.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9391 -4.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1497 6.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3812 6.3553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6027 5.3045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9704 -3.0891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3238 2.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1029 -6.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 2 0 0 0 0 2 30 2 0 0 0 0 3 32 2 0 0 0 0 4 38 2 0 0 0 0 5 46 1 0 0 0 0 5 91 1 0 0 0 0 6 46 2 0 0 0 0 7 47 2 0 0 0 0 8 51 1 0 0 0 0 8 94 1 0 0 0 0 9 53 1 0 0 0 0 9 95 1 0 0 0 0 10 51 2 0 0 0 0 11 52 2 0 0 0 0 12 54 1 0 0 0 0 12 96 1 0 0 0 0 13 21 1 0 0 0 0 13 30 1 0 0 0 0 13 60 1 0 0 0 0 14 26 1 0 0 0 0 14 32 1 0 0 0 0 14 64 1 0 0 0 0 15 29 1 0 0 0 0 15 31 1 0 0 0 0 15 66 1 0 0 0 0 16 24 1 0 0 0 0 16 38 1 0 0 0 0 16 65 1 0 0 0 0 17 27 1 0 0 0 0 17 34 1 0 0 0 0 17 68 1 0 0 0 0 18 33 1 0 0 0 0 18 47 1 0 0 0 0 18 80 1 0 0 0 0 19 48 1 0 0 0 0 19 89 1 0 0 0 0 19 90 1 0 0 0 0 20 52 1 0 0 0 0 20 92 1 0 0 0 0 20 93 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 25 1 0 0 0 0 23 31 2 0 0 0 0 24 28 1 0 0 0 0 24 32 1 0 0 0 0 24 58 1 0 0 0 0 25 29 1 0 0 0 0 25 35 2 0 0 0 0 26 30 1 0 0 0 0 26 36 1 0 0 0 0 26 59 1 0 0 0 0 28 37 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 39 2 0 0 0 0 31 63 1 0 0 0 0 33 38 1 0 0 0 0 33 40 1 0 0 0 0 33 67 1 0 0 0 0 34 41 1 0 0 0 0 34 46 1 0 0 0 0 34 69 1 0 0 0 0 35 42 1 0 0 0 0 35 73 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 37 44 2 0 0 0 0 37 45 1 0 0 0 0 39 43 1 0 0 0 0 39 74 1 0 0 0 0 40 51 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 41 52 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 42 43 2 0 0 0 0 42 79 1 0 0 0 0 43 81 1 0 0 0 0 44 49 1 0 0 0 0 44 82 1 0 0 0 0 45 50 2 0 0 0 0 45 83 1 0 0 0 0 47 48 1 0 0 0 0 48 54 1 0 0 0 0 48 84 1 0 0 0 0 49 53 2 0 0 0 0 49 85 1 0 0 0 0 50 53 1 0 0 0 0 50 86 1 0 0 0 0 54 87 1 0 0 0 0 54 88 1 0 0 0 0 M END > 73211256 > 1 > 1380 > 13 > 12 > 20 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAQCAAADCzhngY+zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7C0bOUcAhm9hHY2Ae/yeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 4-amino-2-[[2-[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-carboxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxo-butanoic acid > 4-amino-2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-carboxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-oxobutanoic acid > 4-amino-2-[[2-[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid > 4-amino-2-[[2-[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid > 4-azanyl-2-[[2-[2-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-butanoic acid > 4-amino-2-[[2-[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-carboxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-keto-butyric acid > InChI=1S/C34H42N8O12/c1-16(29(48)39-24(32(51)42-26(34(53)54)12-27(36)45)11-18-14-37-22-5-3-2-4-20(18)22)38-31(50)23(10-17-6-8-19(44)9-7-17)41-33(52)25(13-28(46)47)40-30(49)21(35)15-43/h2-9,14,16,21,23-26,37,43-44H,10-13,15,35H2,1H3,(H2,36,45)(H,38,50)(H,39,48)(H,40,49)(H,41,52)(H,42,51)(H,46,47)(H,53,54) > STGUFXNQYBZVIW-UHFFFAOYSA-N > -5.6 > 754.29221880 > C34H42N8O12 > 754.7 > CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)N > CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)N > 346 > 754.29221880 > 0 > 54 > 0 > 6 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 29 8 15 31 8 48 19 3 21 22 3 23 25 8 23 31 8 24 28 3 25 29 8 25 35 8 26 36 3 29 39 8 33 40 3 34 41 3 35 42 8 37 44 8 37 45 8 39 43 8 42 43 8 44 49 8 45 50 8 49 53 8 50 53 8 $$$$