3,10-Dihydroxyactinomycin D oxazinone

10,12-dimethyl-2-oxo-5-N,7-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide

Also Known As: 3,10-Dihydroxyactinomycin D oxazinone|L-Valine, 1,1'-((10,12-dimethyl-2-oxo-2H,6H-1,4-oxazino(3,2-b)phenoxazine-5,7-diyl)dicarbonyl)bis(L-threonyl-D-valyl-L-prolyl-N-methylglycyl-N-methyl-, di-xi-lactone|10,12-dimethyl-2-oxo-5-N,7-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide

Molecular Formula	C64H86N12O17
Molecular Weight	1294.6234 g/mol
LogP	3.6
Topological Polar Surface Area	351.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	19
Rotatable Bonds	8
Exact Mass	1294.6234
Monoisotopic Mass	1294.6234
Heavy Atoms	93
Complexity	3180.0

Chemical Identifiers

CAS Number	70570-55-7
SMILES	CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CCC(=C4C3=NC5=C(O4)C(=C6C(=C5C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)C(C)C)C)N=CC(=O)O6)C)C
InChIKey	JKPZTAZKVQYCCH-UHFFFAOYSA-N