TPC-A

Molecular Formula: C₁₆₀H₂₀₂N₂₄O₄₁

InChI: InChI=1/4C40H48N6O9.5H2O/c4*1-22-35(48)42-23(2)38(51)44(4)30(18-25-8-13-28(54-7)14-9-25)37(50)43-24(3)39(52)46(6)32-19-26-10-15-29(16-11-26)55-34-21-27(12-17-33(34)47)20-31(36(49)41-22)45(5)40(32)53;;;;;/h4*8-17,21-24,30-32,47H,18-20H2,1-7H3,(H,41,49)(H,42,48)(H,43,50);5*1H2/t4*22-,23-,24+,30-,31+,32+;;;;;/m0000...../s1/f/h4*41-43H;;;;;

InChIKey: InChIKey=TUBWTFZPLDUNIL-NJHHWDFCDS
SMILES: CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)C)C)CC5=CC=C(C=C5)OC)C)C.CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)C)C)CC5=CC=C(C=C5)OC)C)C.CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)C)C)CC5=CC=C(C=C5)OC)C)C.CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)C)C)CC5=CC=C(C=C5)OC)C)C.O.O.O.O.O

Names:
    Bouvardin, 5-(N-methyl-L-tyrosine)-, hydrate (4:5)
    Bouvardin, 5-(N-methyl-L-tyrosine)-
    Deoxybouvardin
    NSC 259969
    RA V
    TPC-A
    5-(N-Methyl-L-tyrosine)bouvardin hydrate (4:5)
    64725-24-2

Registries:
    PubChem CID 11979419
    PubChem ID 215859