Actinomycin C

2-amino-1-N-[(3S,6S,7R,10S,16S)-3-[(2S)-butan-2-yl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-9-N-[(3S,6S,7R,10S,16S)-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]phenoxazine-1,9-dicarboxamide

Also Known As: ACTINOMYCIN C|CACTINOMYCIN|Actinochrysin|Cactinomicina|Cactinomycine|Cactinomycinum|Sanamicia|Sanamycin|Cactinomycin [USAN:INN]|Cactinomycine [INN-French]|Cactinomycinum [INN-Latin]|Cactinomicina [INN-Spanish]|HBF 386|H.B.F. 386|EINECS 232-485-1|HBF-386|H.B.F.-386|LS-7179|2-amino-1-N-[(3S,6S,7R,10S,16S)-3-[(2S)-butan-2-yl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-9-N-[(3S,6S,7R,10S,16S)-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]phenoxazine-1,9-dicarboxamide|Mixture of dactinomycin (10%), actinomycin C2 (45%), and actinomycin C3 (45%)|Actinomycin D, 2(sup A)-D-alloisoleucine-2(sup B)-D-alloisoleucine-, mixt. with actinomycin D and 2(sup A)-D-alloisoleucineactinomycin D|2-amino-1-N-((3S,6S,7R,10S,16S)-3-((2S)-butan-2-yl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo(14.3.0)nonadecan-6-yl)-4,6-dimethyl-3-oxo-9-N-((3S,6S,7R,10S,16S)-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)phenoxazine-1,9-dicarboxamide|2-amino-1-N-(3-butan-2-yl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo(14.3.0)nonadecan-6-yl)-4,6-dimethyl-3-oxo-9-N-(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)phenoxazine-1,9-dicarboxamide|2-amino-4,6-dimethyl-3-oxo-N~9~-[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-N~1~-{(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-6-(1-methylethyl)|232-485-1

Molecular Formula	C63H88N12O16
Molecular Weight	1268.6442 g/mol
LogP	1.11574
Topological Polar Surface Area	359.98 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	18
Rotatable Bonds	9
Exact Mass	1268.6442
Monoisotopic Mass	1268.6442
Heavy Atoms	91
Complexity	3437.9653

Chemical Identifiers

CAS Number	8052-16-2
SMILES	CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(C=CC(=C5O4)C)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@@H](NC6=O)C(C)C)C)C)C(C)C)C)C)N)C)C(C)C)C)C