2-[[(3Z)-3-[[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-2-methyl-5-propan-2-yl-phenyl]-(2-sulfophenyl)methylidene]-2-methyl-6-oxo-5-propan-2-yl-1-cyclohexa-1,4-dienyl]methyl-(carboxymethyl)amino]acetic acid

Molecular Formula: C37H44N2O13S


InChI: InChI=1/C37H44N2O13S/c1-19(2)24-11-26(21(5)28(36(24)48)13-38(15-31(40)41)16-32(42)43)35(23-9-7-8-10-30(23)53(50,51)52)27-12-25(20(3)4)37(49)29(22(27)6)14-39(17-33(44)45)18-34(46)47/h7-12,19-20,48H,13-18H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,50,51,52)/b35-27+/f/h40,42,44,46,50H

InChIKey: InChIKey=VWUBLPRLXIMEGH-GCMPAIGTDS
SMILES: CC1=C(C(=C(C=C1C(=C2C=C(C(=O)C(=C2C)CN(CC(=O)O)CC(=O)O)C(C)C)C3=CC=CC=C3S(=O)(=O)O)C(C)C)O)CN(CC(=O)O)CC(=O)O

Names:
    2-[[(3Z)-3-[[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-2-methyl-5-propan-2-yl-phenyl]-(2-sulfophenyl)methylidene]-2-methyl-6-oxo-5-propan-2-yl-1-cyclohexa-1,4-dienyl]methyl-(carboxymethyl)amino]acetic acid

Registries:
    PubChem CID 2735088
    PubChem ID 11583168