3-phenyl-2-[(3-sulfophenyl)carbonylamino]butanoic acid

Systemtic Name: 3-phenyl-2-[(3-sulfophenyl)carbonylamino]butanoic acid Openeye Name: 3-phenyl-2-[(3-sulfobenzoyl)amino]butanoic acid CAS Name: 2-[[oxo-(3-sulfophenyl)methyl]amino]-3-phenylbutanoic acid IUPAC Name: 3-phenyl-2-[(3-sulfobenzoyl)amino]butanoic acid Traditional Name: 3-phenyl-2-[(3-sulfobenzoyl)amino]butyric acid Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(C(=O)O)NC(=O)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(C(=O)O)NC(=O)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C17H17NO6S/c1-11(12-6-3-2-4-7-12)15(17(20)21)18-16(19)13-8-5-9-14(10-13)25(22,23)24/h2-11,15H,1H3,(H,18,19)(H,20,21)(H,22,23,24)