2-[carboxymethyl-[[2,5-dimethyl-6-oxidanyl-3-(phenylsulfonyloxycarbonyl)phenyl]methyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[[2,5-dimethyl-6-oxidanyl-3-(phenylsulfonyloxycarbonyl)phenyl]methyl]amino]ethanoic acid Openeye Name: 2-[[5-(benzenesulfonyloxycarbonyl)-2-hydroxy-3,6-dimethyl-phenyl]methyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[[5-[benzenesulfonyloxy(oxo)methyl]-2-hydroxy-3,6-dimethylphenyl]methyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[5-(benzenesulfonyloxycarbonyl)-2-hydroxy-3,6-dimethylphenyl]methyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[(5-besyloxycarbonyl-2-hydroxy-3,6-dimethyl-benzyl)-(carboxymethyl)amino]acetic acid Formula: C20H21NO9S MolecularWeight: 451.44704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)OS(=O)(=O)C2=CC=CC=C2)C)CN(CC(=O)O)CC(=O)O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)OS(=O)(=O)C2=CC=CC=C2)C)CN(CC(=O)O)CC(=O)O)O

InChI

InChI=1S/C20H21NO9S/c1-12-8-15(20(27)30-31(28,29)14-6-4-3-5-7-14)13(2)16(19(12)26)9-21(10-17(22)23)11-18(24)25/h3-8,26H,9-11H2,1-2H3,(H,22,23)(H,24,25)