N-Leucyldoxorubicin

Molecular Formula: C₃₃H₄₀N₂O₁₂

InChI: InChI=1/C33H40N2O12/c1-13(2)8-17(34)32(43)35-18-9-22(46-14(3)27(18)38)47-20-11-33(44,21(37)12-36)10-16-24(20)31(42)26-25(29(16)40)28(39)15-6-5-7-19(45-4)23(15)30(26)41/h5-7,13-14,17-18,20,22,27,36,38,40,42,44H,8-12,34H2,1-4H3,(H,35,43)/t14-,17-,18-,20-,22-,27+,33-/m0/s1/f/h35H

InChIKey: InChIKey=HROXIDVVXKDCBD-PXMDRAPTDQ
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)NC(=O)C(CC(C)C)N)O

Names:
    Leurubicina [INN-Spanish]
    Leurubicine [INN-French]
    Leurubicinum [INN-Latin]
    Leurubicin [INN]
    Leurubicin
    N-Leucyldoxorubicin
    (2S)-2-amino-N-[(2S,3S,4S,6S)-3-hydroxy-2-methyl-6-[[(1S,3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]-4-methyl-pentanamide
    (8S,10S)-10-((3-((S)-2-Amino-4-methylvaleramido)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione
    70774-25-3

Registries:
    PubChem CID 68897
    PubChem ID 211048