3-phenyl-2-[(4-sulfophenyl)carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[(4-sulfophenyl)carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[(4-sulfobenzoyl)amino]propanoic acid CAS Name: 2-[[oxo-(4-sulfophenyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[(4-sulfobenzoyl)amino]propanoic acid Traditional Name: 3-phenyl-2-[(4-sulfobenzoyl)amino]propionic acid Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO6S/c18-15(12-6-8-13(9-7-12)24(21,22)23)17-14(16(19)20)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)(H,19,20)(H,21,22,23)