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18.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5264 18.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3924 18.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6164 20.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4085 17.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2802 21.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8764 17.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6164 18.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7404 21.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5104 16.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6084 17.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2161 10.2078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5251 11.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5251 11.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8341 10.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8686 23.2017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2650 9.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0251 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8911 8.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8648 24.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0045 22.6983 0.0000 C 0 0 0 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(6aR,9R)-N-[(1S)-2-hydroxy-1-methyl-ethyl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-3-methyl-butyl]pyrrolidine-2-carboxamide;maleic acid > (6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(2S)-1-[[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2-pyrrolidinecarboxamide;(Z)-2-butenedioic acid > (6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;(Z)-but-2-enedioic acid > (6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;(Z)-but-2-enedioic acid > (6aR,9R)-7-methyl-N-[(2S)-1-oxidanylpropan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(2S)-1-[[(4R,7S,10S,16S,19R)-19-azanyl-7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentakis(oxidanylidene)-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]carbonyl]-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrrolidine-2-carboxamide;(Z)-but-2-enedioic acid > (6aR,9R)-N-[(1S)-2-hydroxy-1-methyl-ethyl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-keto-ethyl)-10-(3-amino-3-keto-propyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaketo-13-[(1S)-1-methylpropyl]-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carbonyl]-N-[(1S)-1-[(2-amino-2-keto-ethyl)carbamoyl]-3-methyl-butyl]pyrrolidine-2-carboxamide;maleic acid > InChI=1S/C43H66N12O12S2.C19H23N3O2.C4H4O4/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59;1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13;5-3(6)1-2-4(7)8/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64);3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;;2-1-/t22-,25-,26-,27-,28-,29-,30-,31-,35?;11-,13+,17+;/m00./s1 > CEDGTLOSFDBJKR-KVXRPJDVSA-N > 1447.62644352 > C66H93N15O18S2 > 1448.7 > CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N.CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=CC(=O)O)C(=O)O > CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N.C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=C\C(=O)O)\C(=O)O > 593 > 1447.62644352 > 0 > 101 > 11 > 1 > 1 > 0 > 0 > 3 > -1 > 1 5 255 > 22 45 8 22 47 8 56 23 5 62 25 6 84 33 5 36 102 5 40 49 5 41 43 8 41 47 8 42 43 8 42 48 8 43 45 8 45 50 8 48 51 8 50 51 8 52 57 6 59 58 6 70 71 5 72 78 3 73 77 5 74 82 6 83 89 5 91 93 8 91 94 8 93 95 8 94 96 8 95 97 8 96 97 8 $$$$