71571546 -OEChem-04262401252D 113116 0 1 0 0 0 0 0999 V2000 8.5625 -1.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2535 -0.7817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9956 2.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.7007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 2.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8644 1.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8497 -2.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -4.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9008 -0.2464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6354 1.1205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0393 3.2305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -6.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 4.5974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -3.7007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8497 -4.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8007 -4.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8007 -3.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5406 -1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2098 -1.1975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2619 -3.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1879 -1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6136 0.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7619 -4.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9226 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2827 1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8571 -0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -5.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3483 2.2794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6792 1.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3264 2.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9737 2.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2609 1.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -5.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5480 0.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8352 -0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 4.3894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7010 1.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9882 0.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4212 5.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 3.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1122 6.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2172 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5043 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1953 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7814 6.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1341 6.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9804 -3.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3127 -4.8197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1018 -5.0761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9296 -4.8072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4173 -4.1359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4173 -3.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9296 -2.5942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6246 -0.7367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9557 -1.9802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7137 -1.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -5.1037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3156 0.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1987 0.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0719 -4.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6763 1.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -6.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 -5.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7632 2.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2206 0.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2643 1.0755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5634 2.7983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7821 3.1964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3841 2.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1320 0.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8673 1.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3898 2.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9416 0.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0268 -1.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4541 3.6912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3372 3.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8299 2.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0946 1.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5721 1.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3985 0.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1798 -0.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5778 0.7768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8029 4.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9687 5.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -6.8268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7187 5.9548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0256 1.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1108 -0.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2421 6.4119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 7.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3206 7.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 6.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5276 6.4205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0052 5.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5824 5.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3591 4.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.2427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4709 1.4383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 22 2 0 0 0 0 3 26 2 0 0 0 0 4 32 2 0 0 0 0 5 36 1 0 0 0 0 5100 1 0 0 0 0 6 36 2 0 0 0 0 7 43 2 0 0 0 0 8 50 1 0 0 0 0 8113 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 22 1 0 0 0 0 25 10 1 1 0 0 0 10 67 1 0 0 0 0 21 11 1 1 0 0 0 11 26 1 0 0 0 0 11 68 1 0 0 0 0 24 12 1 1 0 0 0 12 32 1 0 0 0 0 12 75 1 0 0 0 0 30 13 1 6 0 0 0 13 43 1 0 0 0 0 13 85 1 0 0 0 0 14 35 1 0 0 0 0 14 46 1 0 0 0 0 14 95 1 0 0 0 0 39 15 1 1 0 0 0 15107 1 0 0 0 0 15108 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 1 0 0 0 16 57 1 0 0 0 0 17 18 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 19 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 21 64 1 0 0 0 0 23 28 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 69 1 0 0 0 0 25 29 1 0 0 0 0 25 36 1 0 0 0 0 25 70 1 0 0 0 0 27 33 1 0 0 0 0 27 34 1 0 0 0 0 27 71 1 0 0 0 0 28 37 2 0 0 0 0 28 38 1 0 0 0 0 29 35 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 74 1 0 0 0 0 31 40 1 0 0 0 0 31 41 1 0 0 0 0 31 76 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 35 44 2 0 0 0 0 37 48 1 0 0 0 0 37 83 1 0 0 0 0 38 49 2 0 0 0 0 38 84 1 0 0 0 0 39 42 1 0 0 0 0 39 43 1 0 0 0 0 39 86 1 0 0 0 0 40 87 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 41 92 1 0 0 0 0 42 45 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 44 47 1 0 0 0 0 44 96 1 0 0 0 0 45 51 1 0 0 0 0 45 52 1 0 0 0 0 45 97 1 0 0 0 0 46 47 1 0 0 0 0 46 53 2 0 0 0 0 47 54 2 0 0 0 0 48 50 2 0 0 0 0 48 98 1 0 0 0 0 49 50 1 0 0 0 0 49 99 1 0 0 0 0 51101 1 0 0 0 0 51102 1 0 0 0 0 51103 1 0 0 0 0 52104 1 0 0 0 0 52105 1 0 0 0 0 52106 1 0 0 0 0 53 55 1 0 0 0 0 53109 1 0 0 0 0 54 56 1 0 0 0 0 54110 1 0 0 0 0 55 56 2 0 0 0 0 55111 1 0 0 0 0 56112 1 0 0 0 0 M END > 71571546 > 1 > 1370 > 9 > 8 > 18 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB9AAAHgAQCAAADSzBngQyzvPJkgCoAyXyXACCgCAhIiAImaG+bJgKZvLC0bOUcAhk1hHY2Ae8yeCOIAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-2-yl)propanoic acid > (2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-2-yl)propanoic acid > (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-2-yl)propanoic acid > (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-2-yl)propanoic acid > (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-2-yl)propanoic acid > (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]prolyl]amino]-3-(1H-indol-2-yl)propionic acid > InChI=1S/C41H57N7O8/c1-22(2)18-29(42)36(50)46-35(24(5)6)39(53)47-34(23(3)4)38(52)44-31(19-25-13-15-28(49)16-14-25)40(54)48-17-9-12-33(48)37(51)45-32(41(55)56)21-27-20-26-10-7-8-11-30(26)43-27/h7-8,10-11,13-16,20,22-24,29,31-35,43,49H,9,12,17-19,21,42H2,1-6H3,(H,44,52)(H,45,51)(H,46,50)(H,47,53)(H,55,56)/t29-,31-,32-,33-,34-,35-/m0/s1 > ZQWXARYGPROKDX-LXOXETEGSA-N > 2.3 > 775.42686180 > C41H57N7O8 > 775.9 > CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NC(CC3=CC4=CC=CC=C4N3)C(=O)O)N > CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC4=CC=CC=C4N3)C(=O)O)N > 236 > 775.42686180 > 0 > 56 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 25 10 5 21 11 5 24 12 5 30 13 6 14 35 8 14 46 8 39 15 5 16 22 5 28 37 8 28 38 8 35 44 8 37 48 8 38 49 8 44 47 8 46 47 8 46 53 8 47 54 8 48 50 8 49 50 8 53 55 8 54 56 8 55 56 8 $$$$