N-(L-Leucyl)-daunorubicin

(2S)-N-[(2S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2-amino-4-methylpentanamide

Also Known As: N-(L-Leucyl)-daunorubicin|KST-1A7509|(1s,3s)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl(4xi)-2,3,6-trideoxy-3-(l-leucylamino)-|A-l-threo-hexopyranoside|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-(((S)-2-amino-4-methyl-1-oxopentyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-|Trichloromethylphosphonic acid bis(2,2,2-trichloroethyl) ester|Phosphonic acid, trichloromethyl-, bis(2,2,2-trichloroethyl) ester|(2S)-N-[(2S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2-amino-4-methylpentanamide

Molecular Formula	C33H40N2O11
Molecular Weight	640.2632 g/mol
LogP	1.56
Topological Polar Surface Area	214.94 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	640.2632
Heavy Atoms	46
Complexity	1604.5

Chemical Identifiers

CAS Number	681-72-1
SMILES	C[C@H]1C([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(=O)[C@H](CC(C)C)N)O