7-(Benzylamino)actinomycin D

2-amino-7-(benzylamino)-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-(Benzylamino)actinomycin D|7-((Phenylmethyl)amino)actinomycin D|Actinomycin D, 7-((phenylmethyl)amino)-|2-amino-7-(benzylamino)-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

Molecular Formula	C69H93N13O16
Molecular Weight	1359.6863 g/mol
LogP	5.2
Topological Polar Surface Area	368.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	19
Rotatable Bonds	11
Exact Mass	1359.6863
Monoisotopic Mass	1359.6863
Heavy Atoms	98
Complexity	3250.0

Chemical Identifiers

CAS Number	64604-59-7
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=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)NCC8=CC=CC=C8
InChIKey	FILMNGQLMJPOGD-UHFFFAOYSA-N