Actinocylbis(threonyl-D-valylproline meethyl ester)

methyl 1-[2-[[2-[[8-amino-9-[[3-hydroxy-1-[[1-(2-methoxycarbonylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate

Also Known As: Actinocylbis(threonyl-D-valylproline meethyl ester)|Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester|Actinomycindioic D acid, 4A-de(N-methylglycine)-4B-de(N-methylglycine)-5A-de(N-methyl-L-valine)-5B-de(N-methyl-L-valine)-, dimethyl ester|methyl 1-[2-[[2-[[8-amino-9-[[3-hydroxy-1-[[1-(2-methoxycarbonylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate

Molecular Formula	C46H62N8O14
Molecular Weight	950.43854 g/mol
LogP	2.0
Topological Polar Surface Area	315.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	16
Rotatable Bonds	18
Exact Mass	950.43854
Monoisotopic Mass	950.43854
Heavy Atoms	68
Complexity	2140.0

Chemical Identifiers

CAS Number	66682-48-2
SMILES	CC1=C2C(=C(C=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)OC)N=C4C(=C(C(=O)C(=C4O2)C)N)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)OC
InChIKey	JNJKXORSJQNNCK-UHFFFAOYSA-N