Kinamycin C

[(1R,2S,3S,4S)-2,4-diacetyloxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[b]carbazol-1-yl] acetate

Also Known As: Kinamycin C|KST-1A4249|NCI60_000866|(1r,2s,3s,4s)-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,3,4,5,6,11-hexahydro-1h-benzo[b]carbazole-1,2,4-triyl triacetate|[(1R,2S,3S,4S)-2,4-diacetyloxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[b]carbazol-1-yl] acetate|5H-Benzo(b)carbazole-5-carbonitrile, 1,2,4-tris(acetyloxy)-1,2,3,4,6,11-hexahydro-3,7-dihydroxy-3-methyl-6,11-dioxo-, (1-alpha,2-beta,3-alpha,4-alpha)-|[(1R,2S,3S,4S)-2,4-diacetoxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[b]carbazol-1-yl] acetate|5-Pyrimidinecarboxylic acid, 4-ethoxy-2-(4-(3,3,3-triphenylpropyl)-1-piperazinyl)-, ethyl ester, monohydrochloride|5-Pyrimidinecarboxylic acid, 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)-1-piperazinyl]-, ethyl ester, monohydrochloride

Molecular Formula	C24H20N2O10
Molecular Weight	496.1118 g/mol
LogP	1.2
Topological Polar Surface Area	182.22 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	12
Rotatable Bonds	3
Exact Mass	496.1118
Heavy Atoms	36
Complexity	1410.8

Chemical Identifiers

CAS Number	35303-08-3
SMILES	CC(=O)O[C@H]1[C@@H]([C@@]([C@H](C2=C1C3=C(N2C#N)C(=O)C4=C(C3=O)C=CC=C4O)OC(=O)C)(C)O)OC(=O)C