N-L-Leucyldaunomycin monohydrochloride

(2S)-N-[(2S,3S,4S,6R)-6-[[(3S)-3-acetyl-3,12-dihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2-amino-4-methylpentanamide;hydrochloride

Also Known As: N-Leucyldaunorubicin|N-L-Leucyldaunomycin monohydrochloride|KST-1A3369|Daunomycin, N-L-leucyl-, monohydrochloride|(3s)-3-acetyl-3,12-dihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(l-leucylamino)-|A-l-lyxo-hexopyranoside hydrochloride(1:1)|(2S)-N-[(2S,3S,4S,6R)-6-[[(3S)-3-acetyl-3,12-dihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2-amino-4-methylpentanamide hydrochloride|(3S)-3-Acetyl-3,12-dihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-{[(2S)-2-amino-1-hydroxy-4-methylpentylidene]amino}-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside--hydrogen chloride (1/1)|3-Acetyl-3,12-dihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)

Molecular Formula	C33H41ClN2O10
Molecular Weight	660.245 g/mol
LogP	2.276
Topological Polar Surface Area	195.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	660.245
Monoisotopic Mass	660.245
Heavy Atoms	46
Complexity	1150.0

Chemical Identifiers

CAS Number	27360-07-2
SMILES	C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2C[C@@](CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)(C(=O)C)O)NC(=O)[C@H](CC(C)C)N)O.Cl
InChIKey	YXGMZAYQZHPJEY-SDAWPQKCSA-N