71491862 -OEChem-05042410262D 99101 0 1 0 0 0 0 0999 V2000 7.3996 -1.4652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4176 0.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0675 -2.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6817 4.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7032 3.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2816 6.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9924 5.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8599 8.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7533 -0.9271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7783 -3.3662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7068 1.7182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8213 -5.3881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4032 -3.6981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3281 3.6193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8284 -8.2445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4141 2.7944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0639 0.0234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0424 0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1105 -2.6219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1320 -2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4211 -1.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8213 -3.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3961 0.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3531 1.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7103 -0.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4247 -3.9043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8751 -4.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1140 -4.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0389 2.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7568 -3.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7818 -5.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4049 -4.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 -5.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4712 -6.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3496 3.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -3.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -5.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6388 4.5698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1390 -7.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -4.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 4.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -5.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 3.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9279 5.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9709 5.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2601 6.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9064 5.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5707 7.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2171 6.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5492 7.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 -0.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6491 0.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9178 -3.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1114 -2.2085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 -2.7408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1466 -1.0550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5857 -3.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9424 0.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5457 1.7695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7638 1.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2488 -0.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 -0.9761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1718 -0.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8387 -4.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5671 -4.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7314 -5.3427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8463 1.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3134 1.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3288 -5.8912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1644 -5.1112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0249 -4.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 -5.9775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 1.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 1.6811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9242 -6.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0886 -7.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -2.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8172 -4.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -3.1088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0528 4.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -6.2034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7422 3.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6859 -7.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5216 -6.8061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 -3.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6378 4.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2311 4.6887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 -5.3934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2424 -8.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2217 -8.3723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2214 2.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6534 6.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3205 5.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1567 7.8828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8238 7.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 6.7261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4666 8.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 23 2 0 0 0 0 3 30 2 0 0 0 0 4 36 2 0 0 0 0 5 44 2 0 0 0 0 6 46 1 0 0 0 0 6 98 1 0 0 0 0 7 46 2 0 0 0 0 8 51 1 0 0 0 0 8 99 1 0 0 0 0 17 9 1 6 0 0 0 9 21 1 0 0 0 0 9 57 1 0 0 0 0 19 10 1 1 0 0 0 10 30 1 0 0 0 0 10 58 1 0 0 0 0 11 23 1 0 0 0 0 29 11 1 1 0 0 0 11 69 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 73 1 0 0 0 0 26 13 1 1 0 0 0 13 79 1 0 0 0 0 13 80 1 0 0 0 0 14 36 1 0 0 0 0 39 14 1 6 0 0 0 14 83 1 0 0 0 0 15 40 1 0 0 0 0 15 90 1 0 0 0 0 15 91 1 0 0 0 0 16 44 1 0 0 0 0 16 92 1 0 0 0 0 16 93 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 17 52 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 22 27 1 0 0 0 0 22 32 2 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 26 65 1 0 0 0 0 27 33 1 0 0 0 0 27 37 2 0 0 0 0 28 31 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 34 1 0 0 0 0 29 36 1 0 0 0 0 29 68 1 0 0 0 0 31 35 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 32 72 1 0 0 0 0 33 38 2 0 0 0 0 34 44 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 35 40 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 37 41 1 0 0 0 0 37 78 1 0 0 0 0 38 43 1 0 0 0 0 38 82 1 0 0 0 0 39 42 1 0 0 0 0 39 46 1 0 0 0 0 39 81 1 0 0 0 0 40 84 1 0 0 0 0 40 85 1 0 0 0 0 41 43 2 0 0 0 0 41 86 1 0 0 0 0 42 45 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 89 1 0 0 0 0 45 47 2 0 0 0 0 45 48 1 0 0 0 0 47 49 1 0 0 0 0 47 94 1 0 0 0 0 48 50 2 0 0 0 0 48 95 1 0 0 0 0 49 51 2 0 0 0 0 49 96 1 0 0 0 0 50 51 1 0 0 0 0 50 97 1 0 0 0 0 M END > 71491862 > 1 > 1200 > 10 > 10 > 20 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAQCAAADSzBngQ+zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKZvrC0bOUcAhk1hHY2AedyeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid > (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)propanoic acid > (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid > (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid > (2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid > (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid > InChI=1S/C35H48N8O8/c1-19(2)30(34(49)41-27(17-29(38)45)32(47)42-28(35(50)51)15-20-10-12-22(44)13-11-20)43-33(48)26(40-31(46)24(37)8-5-6-14-36)16-21-18-39-25-9-4-3-7-23(21)25/h3-4,7,9-13,18-19,24,26-28,30,39,44H,5-6,8,14-17,36-37H2,1-2H3,(H2,38,45)(H,40,46)(H,41,49)(H,42,47)(H,43,48)(H,50,51)/t24-,26-,27-,28-,30-/m0/s1 > LDKMWLQROPVSJZ-MPPDFTAISA-N > -2.7 > 708.35951052 > C35H48N8O8 > 708.8 > CC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCCCN)N > CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)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](CCCCN)N > 285 > 708.35951052 > 0 > 51 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 10 5 29 11 5 12 32 8 12 33 8 26 13 5 39 14 6 22 27 8 22 32 8 27 33 8 27 37 8 33 38 8 37 41 8 38 43 8 41 43 8 45 47 8 45 48 8 47 49 8 48 50 8 49 51 8 50 51 8 17 9 6 $$$$