actinomycin D lactam

2-amino-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)-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide

Also Known As: Actinomycin D lactam|1',1'-Bis(L-threo-alpha,beta-diaminobutyric acid)actinomycin D|(1',1'-bis(L-threo-alpha,beta-diaminobutyric acid))actinomycin D|[A3(or B3)-(trans-4-hydroxy-L-proline)]-actinomycin-D|2-amino-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)-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide|2-Amino-4,6-dimethylphenoxazinone(3)-1,9-bis(carbonyl-L-threo-alpha,beta-diaminobutyryl-D-valyl-L-prolylsarcosyl-N-methylvalyl (N(beta)-diaminobutyric acid)lactam)|Actinomycinodioic D acid, 1(sup A)-(L-threo-2,3-diaminobutanoic acid)-1(sup B)-(L-threo-2,3-diaminobutanoic acid)-, cyclic (5(sup A)-1(sup A)),(5(sup B)-1(sup B))-dipeptide

Molecular Formula	C62H88N14O14
Molecular Weight	1252.6604 g/mol
LogP	2.6
Topological Polar Surface Area	361.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	16
Rotatable Bonds	8
Exact Mass	1252.6604
Monoisotopic Mass	1252.6604
Heavy Atoms	90
Complexity	3030.0

Chemical Identifiers

CAS Number	37590-79-7
SMILES	CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)N1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(NC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C
InChIKey	JLNOBDPVLVIXKW-UHFFFAOYSA-N