Mrv0541 03111514252D 41 48 0 0 0 0 999 V2000 11.3940 -2.5297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8026 -1.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9492 -1.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3977 -2.5524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2078 -1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7863 -0.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5543 -1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9595 -0.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6902 -2.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1142 -2.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1182 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9738 -2.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2647 -2.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8225 -2.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5347 -2.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8303 -0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5386 -1.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3933 -3.3749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3862 -3.3529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7962 -3.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3965 -2.8963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9740 -3.9316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6887 -1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2640 -1.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9813 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1560 -3.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6788 -3.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2653 -4.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2741 -5.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5447 -3.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9912 -5.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 0.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3584 0.7478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6951 0.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8272 0.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5638 -5.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7060 -5.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8491 -5.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4201 -5.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1349 -5.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9741 -4.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 6 5 1 0 0 0 0 8 6 2 0 0 0 0 8 7 1 0 0 0 0 4 3 1 0 0 0 0 7 3 2 0 0 0 0 1 2 1 0 0 0 0 5 2 2 0 0 0 0 10 1 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 14 10 1 0 0 0 0 11 10 2 0 0 0 0 15 14 2 0 0 0 0 16 11 1 0 0 0 0 17 15 1 0 0 0 0 17 16 2 0 0 0 0 9 4 1 0 0 0 0 4 18 1 0 0 0 0 1 19 1 0 0 0 0 20 19 1 0 0 0 0 19 21 1 1 0 0 0 18 21 1 1 0 0 0 20 22 1 0 0 0 0 22 18 1 0 0 0 0 9 23 2 0 0 0 0 13 24 1 0 0 0 0 24 25 2 0 0 0 0 23 25 1 0 0 0 0 23 7 1 0 0 0 0 19 26 1 0 0 0 0 18 27 1 0 0 0 0 28 22 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 32 6 1 0 0 0 0 33 32 1 0 0 0 0 34 8 1 0 0 0 0 34 33 1 0 0 0 0 32 35 2 0 0 0 0 37 31 1 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 40 39 1 0 0 0 0 22 41 1 6 0 0 0 M END > CHEBI:85085 > KT 5720 > An organic heterooctacyclic compound that is 1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of hexyl (3S)-3-hydroxy-2-methyltetrahydrofuran-3-carboxylate (the 2R,3S,5S product), and in which the 3 and 3' positions of the biindole moiety have also undergone formal oxidative coupling to positions 3 and 4 of 1,5-dihydro-2H-pyrrol-2-one. > 3 > KT5720; KT-5720; antibiotic KT 5720; (9R,10S,12S)-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid hexyl ester > hexyl (5R,6S,8S)-6-hydroxy-5-methyl-13-oxo-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate > C32H31N3O5 > 537.60560 > 537.22637 > 0 > CCCCCCOC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 > InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1 > ZHEHVZXPFVXKEY-RUAOOFDTSA-N > 108068-98-0 > 8376260 > 108068-98-0 > XDR > KT5720 > 12547730; 15528235; 16542724; 20972940; 21287607; 23713946; 7786606; 7954419; 8529881; 9699505; 9872566 $$$$