3-[(2-azanyl-2-oxidanylidene-1-phenyl-1-sulfo-ethyl)amino]-3-oxidanylidene-2-phenyl-propanoic acid

Systemtic Name: 3-[(2-azanyl-2-oxidanylidene-1-phenyl-1-sulfo-ethyl)amino]-3-oxidanylidene-2-phenyl-propanoic acid Openeye Name: 3-[(2-amino-2-oxo-1-phenyl-1-sulfo-ethyl)amino]-3-oxo-2-phenyl-propanoic acid CAS Name: 3-[(2-amino-2-oxo-1-phenyl-1-sulfoethyl)amino]-3-oxo-2-phenylpropanoic acid IUPAC Name: 3-[(2-amino-2-oxo-1-phenyl-1-sulfoethyl)amino]-3-oxo-2-phenylpropanoic acid Traditional Name: 3-[(2-amino-2-keto-1-phenyl-1-sulfo-ethyl)amino]-3-keto-2-phenyl-propionic acid Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O7S/c18-16(23)17(27(24,25)26,12-9-5-2-6-10-12)19-14(20)13(15(21)22)11-7-3-1-4-8-11/h1-10,13H,(H2,18,23)(H,19,20)(H,21,22)(H,24,25,26)