56644270 -OEChem-03292400402D 95 98 0 1 0 0 0 0 0999 V2000 7.9244 -0.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 0.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 3.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 3.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 1.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1312 -0.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 4.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1241 4.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.2855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -1.6173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.1537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 0.4899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 2.3910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.5412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -1.8236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6783 -1.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 -2.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 -0.4606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2781 0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -0.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2171 -1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6388 -3.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 2.8485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -1.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1957 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 1.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6173 -3.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3282 -4.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 2.1848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 -3.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 2.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 2.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8635 -1.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5063 -0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 2.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2852 -4.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9960 -5.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9745 -5.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8420 -1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4848 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1527 -0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 3.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 -1.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.1277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.6600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6957 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -1.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 -2.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5884 -3.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1352 0.0009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6742 -2.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.5026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6908 -1.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4484 -1.7802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3142 1.9763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 1.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.8967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 3.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4666 0.6178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8099 -2.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7215 -4.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9169 1.7233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1467 3.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6679 2.5144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4024 2.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6709 -2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0923 0.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2880 3.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4524 2.4411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8918 -3.9286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8034 -5.8025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1497 4.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3886 -5.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2561 -1.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6774 0.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6739 2.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8954 1.9295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8168 3.3888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5452 -0.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6704 5.2132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 25 2 0 0 0 0 3 27 2 0 0 0 0 32 4 1 1 0 0 0 4 87 1 0 0 0 0 5 42 1 0 0 0 0 5 93 1 0 0 0 0 6 36 2 0 0 0 0 7 42 2 0 0 0 0 8 52 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 53 2 0 0 0 0 17 11 1 1 0 0 0 11 22 1 0 0 0 0 11 58 1 0 0 0 0 19 12 1 1 0 0 0 12 27 1 0 0 0 0 12 62 1 0 0 0 0 13 25 1 0 0 0 0 30 13 1 1 0 0 0 13 67 1 0 0 0 0 14 26 1 0 0 0 0 14 28 1 0 0 0 0 14 68 1 0 0 0 0 24 15 1 1 0 0 0 15 36 1 0 0 0 0 15 70 1 0 0 0 0 40 16 1 6 0 0 0 16 91 1 0 0 0 0 16 92 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 57 1 0 0 0 0 20 23 1 0 0 0 0 20 28 2 0 0 0 0 21 31 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 23 26 1 0 0 0 0 23 33 2 0 0 0 0 24 27 1 0 0 0 0 24 29 1 0 0 0 0 24 61 1 0 0 0 0 26 35 2 0 0 0 0 28 63 1 0 0 0 0 29 34 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 32 1 0 0 0 0 30 42 1 0 0 0 0 30 66 1 0 0 0 0 31 38 2 0 0 0 0 31 39 1 0 0 0 0 32 43 1 0 0 0 0 32 69 1 0 0 0 0 33 37 1 0 0 0 0 33 71 1 0 0 0 0 34 44 2 0 0 0 0 34 45 1 0 0 0 0 35 41 1 0 0 0 0 35 72 1 0 0 0 0 36 40 1 0 0 0 0 37 41 2 0 0 0 0 37 73 1 0 0 0 0 38 47 1 0 0 0 0 38 74 1 0 0 0 0 39 48 2 0 0 0 0 39 75 1 0 0 0 0 40 46 1 0 0 0 0 40 76 1 0 0 0 0 41 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 44 50 1 0 0 0 0 44 81 1 0 0 0 0 45 51 2 0 0 0 0 45 82 1 0 0 0 0 46 53 1 0 0 0 0 46 83 1 0 0 0 0 46 84 1 0 0 0 0 47 49 2 0 0 0 0 47 85 1 0 0 0 0 48 49 1 0 0 0 0 48 86 1 0 0 0 0 49 88 1 0 0 0 0 50 52 2 0 0 0 0 50 89 1 0 0 0 0 51 52 1 0 0 0 0 51 90 1 0 0 0 0 M END > 56644270 > 1 > 1270 > 11 > 10 > 18 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADDzhngY+zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7CkbOUcAhn9hHY2Ae/yeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (3S)-3-amino-4-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-2-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid > (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > (3S)-3-azanyl-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid > (3S)-3-amino-4-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-2-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-4-keto-butyric acid > InChI=1S/C37H42N6O10/c1-20(44)32(37(52)53)43-36(51)30(17-23-19-39-27-10-6-5-9-25(23)27)42-35(50)29(15-21-7-3-2-4-8-21)41-34(49)28(16-22-11-13-24(45)14-12-22)40-33(48)26(38)18-31(46)47/h2-14,19-20,26,28-30,32,39,44-45H,15-18,38H2,1H3,(H,40,48)(H,41,49)(H,42,50)(H,43,51)(H,46,47)(H,52,53)/t20-,26+,28+,29+,30+,32+/m1/s1 > DDAHGDROUBYYBT-SCRCLQCBSA-N > -1.8 > 730.29624156 > C37H42N6O10 > 730.8 > CC(C(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(=O)O)N)O > C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(=O)O)N)O > 273 > 730.29624156 > 0 > 53 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 11 5 19 12 5 30 13 5 14 26 8 14 28 8 24 15 5 40 16 6 20 23 8 20 28 8 23 26 8 23 33 8 26 35 8 31 38 8 31 39 8 33 37 8 34 44 8 34 45 8 35 41 8 37 41 8 38 47 8 39 48 8 32 4 5 44 50 8 45 51 8 47 49 8 48 49 8 50 52 8 51 52 8 $$$$