(2S)-2-(2-phenylethanoylamino)butanedioic acid

Systemtic Name: (2S)-2-(2-phenylethanoylamino)butanedioic acid Openeye Name: (2S)-2-[(2-phenylacetyl)amino]butanedioic acid CAS Name: (2S)-2-[(1-oxo-2-phenylethyl)amino]butanedioic acid IUPAC Name: (2S)-2-[(2-phenylacetyl)amino]butanedioic acid Traditional Name: (2S)-2-[(2-phenylacetyl)amino]succinic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO5/c14-10(6-8-4-2-1-3-5-8)13-9(12(17)18)7-11(15)16/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H,17,18)/t9-/m0/s1