Phenylalanine - ochratoxin A

Molecular Formula: C₂₀H₁₈ClNO₆

InChI: InChI=1/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15u/m1/s1/f/h22,25H

InChIKey: InChIKey=RWQKHEORZBHNRI-QQXBSGAIDI
SMILES: CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl

Names:
    Antibiotic 9663
    BRN 1301486
    CCRIS 2382
    EINECS 206-143-7
    HSDB 4305
    NCI-C56586
    NSC 201422
    OCHRATOXIN A
    Phenylalanine - ochratoxin A
    2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-isochroman-7-carbonyl]amino]-3-phenyl-propanoic acid
    5-18-09-00056 (Beilstein Handbook Reference)

Registries:
    PubChem CID 9344
    PubChem ID 152549