73170749 -OEChem-04252410592D 83 85 0 1 0 0 0 0 0999 V2000 7.2566 -1.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -2.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 0.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 0.1659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6388 -5.9947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6173 -5.7885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2496 2.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 0.9102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 5.9947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2207 -5.9141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8635 -4.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -3.7618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -1.3227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.7837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 1.3227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -4.0937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2171 -3.6812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -3.0175 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9889 -3.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 -0.3722 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -5.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -4.2999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6138 -3.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 0.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 2.0670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8994 -0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 -5.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2066 3.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -4.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -4.6317 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5387 3.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 1.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5743 -5.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8494 4.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5602 3.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 5.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8924 4.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 5.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5528 -5.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 -3.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -2.6040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -3.1364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -4.3511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3350 -0.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -4.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 -1.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6957 -4.7613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -6.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5026 2.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 -0.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 -0.2533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1704 1.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7535 2.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5891 3.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 -4.9584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5884 -5.7383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4528 -3.5043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4924 -4.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0480 -5.7037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8056 -5.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8168 0.9124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4560 4.8402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3676 2.9662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4462 -6.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8238 -3.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8031 -3.2198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 6.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2857 4.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6429 2.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7278 6.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8274 -5.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 27 2 0 0 0 0 3 31 1 0 0 0 0 3 73 1 0 0 0 0 4 29 2 0 0 0 0 5 33 1 0 0 0 0 5 76 1 0 0 0 0 6 37 2 0 0 0 0 7 40 1 0 0 0 0 7 81 1 0 0 0 0 8 40 2 0 0 0 0 9 46 1 0 0 0 0 9 82 1 0 0 0 0 10 47 1 0 0 0 0 10 83 1 0 0 0 0 11 47 2 0 0 0 0 12 18 1 0 0 0 0 12 27 1 0 0 0 0 12 51 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 54 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 56 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 62 1 0 0 0 0 16 26 1 0 0 0 0 16 37 1 0 0 0 0 16 67 1 0 0 0 0 17 38 1 0 0 0 0 17 77 1 0 0 0 0 17 78 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 24 1 0 0 0 0 21 28 2 0 0 0 0 23 29 1 0 0 0 0 23 31 1 0 0 0 0 23 52 1 0 0 0 0 24 32 2 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 33 1 0 0 0 0 26 55 1 0 0 0 0 28 35 1 0 0 0 0 28 57 1 0 0 0 0 30 34 1 0 0 0 0 30 40 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 36 1 0 0 0 0 32 61 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 39 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 36 2 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 37 38 1 0 0 0 0 38 41 1 0 0 0 0 38 70 1 0 0 0 0 39 42 2 0 0 0 0 39 43 1 0 0 0 0 41 47 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 42 44 1 0 0 0 0 42 74 1 0 0 0 0 43 45 2 0 0 0 0 43 75 1 0 0 0 0 44 46 2 0 0 0 0 44 79 1 0 0 0 0 45 46 1 0 0 0 0 45 80 1 0 0 0 0 M END > 73170749 > 1 > 1120 > 12 > 11 > 17 > AAADcfB7vAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAQCAAADCzhngY8zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7CkbOUcAhm9hHY2Ae/yeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 3-amino-4-[[2-[[2-[[2-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid > 3-amino-4-[[1-[[1-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > 3-amino-4-[[1-[[1-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > 3-amino-4-[[1-[[1-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > 3-azanyl-4-[[1-[[1-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid > 3-amino-4-[[2-[[2-[[2-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-2-keto-1-methylol-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-4-keto-butyric acid > InChI=1S/C30H36N6O11/c31-19(11-25(40)41)26(42)35-23(13-37)28(44)33-21(10-16-12-32-20-4-2-1-3-18(16)20)27(43)36-24(14-38)29(45)34-22(30(46)47)9-15-5-7-17(39)8-6-15/h1-8,12,19,21-24,32,37-39H,9-11,13-14,31H2,(H,33,44)(H,34,45)(H,35,42)(H,36,43)(H,40,41)(H,46,47) > JYTPLDFNOJLQMI-UHFFFAOYSA-N > -4.9 > 656.24420599 > C30H36N6O11 > 656.6 > C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CO)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)O)N > C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CO)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)O)N > 294 > 656.24420599 > 0 > 47 > 0 > 5 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 24 8 14 25 8 38 17 3 18 19 3 20 21 8 20 25 8 21 24 8 21 28 8 23 31 3 24 32 8 26 33 3 28 35 8 30 34 3 32 36 8 35 36 8 39 42 8 39 43 8 42 44 8 43 45 8 44 46 8 45 46 8 $$$$