(2S)-2-[[(3R,4S)-5-chloro-4,8-dihydroxy-3-methyl-1-oxo-isochroman-7-carbonyl]amino]-3-phenyl-propanoic acid

Molecular Formula: C20H18ClNO7


InChI: InChI=1/C20H18ClNO7/c1-9-16(23)14-12(21)8-11(17(24)15(14)20(28)29-9)18(25)22-13(19(26)27)7-10-5-3-2-4-6-10/h2-6,8-9,13,16,23-24H,7H2,1H3,(H,22,25)(H,26,27)/t9-,13+,16+/m1/s1/f/h22,26H

InChIKey: InChIKey=BCZIFDALJWPHTK-YZMSQLBJDJ
SMILES: CC1C(C2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl)O

Names:
    (2S)-2-[[(3R,4S)-5-chloro-4,8-dihydroxy-3-methyl-1-oxo-isochroman-7-carbonyl]amino]-3-phenyl-propanoic acid

Registries:
    PubChem CID 114713
    PubChem ID 10236460