2-[[5-[1-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-2-methyl-5-propan-2-yl-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-yl-phenyl]methyl-(carboxymethyl)amino]acetic acid

Molecular Formula: C38H44N2O12


InChI: InChI=1/C38H44N2O12/c1-19(2)24-11-29(21(5)26(35(24)49)13-39(15-31(41)42)16-32(43)44)38(28-10-8-7-9-23(28)37(51)52-38)30-12-25(20(3)4)36(50)27(22(30)6)14-40(17-33(45)46)18-34(47)48/h7-12,19-20,49-50H,13-18H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/f/h41,43,45,47H

InChIKey: InChIKey=AGXCADFSYJNMEG-ADPVAKDMCW
SMILES: CC1=C(C(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4C)CN(CC(=O)O)CC(=O)O)O)C(C)C)C(C)C)O)CN(CC(=O)O)CC(=O)O

Names:
    2-[[5-[1-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-2-methyl-5-propan-2-yl-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-yl-phenyl]methyl-(carboxymethyl)amino]acetic acid

Registries:
    PubChem CID 112918
    PubChem ID 10235908