7-Aminoactinomycin D

2,7-diamino-4,6-dimethyl-3-oxo-1-N,9-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]phenoxazine-1,9-dicarboxamide

Also Known As: 7-Aminoactinomycin D|7-amino-AMD|7-Aminodactinomycin|7-Actinomycin C1|7-AAD|Actinomycin D, 7-amino-|FLU 402|7-AMINOACTINOMYCIND|7-AAD, 7-Aminoactinomycin D|AC1L22R4|orb1987583|YXHLJMWYDTXDHS-UHFFFAOYSA-N|SMP2_000160|T18906|2,7-diamino-4,6-dimethyl-3-oxo-1-N,9-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]phenoxazine-1,9-dicarboxamide|2,7-diamino-1-N,9-N-bis({6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-decahydropyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl})-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide|2,7-Diamino-4,6-dimethyl-3-oxo-N~1~,N~9~-bis[2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3H-phenoxazine-1,9-dicarboxamide|2,7-Diamino-N1,N9-bis(6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1]oxa[4,7,10,13]tetraazacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide

Molecular Formula	C62H87N13O16
Molecular Weight	1269.6394 g/mol
LogP	0.31
Topological Polar Surface Area	386.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	19
Rotatable Bonds	8
Exact Mass	1269.6394
Heavy Atoms	91
Complexity	3473.5

Chemical Identifiers

CAS Number	7240-37-1
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=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)N