3-azanyl-4-oxidanylidene-4-(2-phenylethanoylamino)butanoic acid; ethanoic acid

Systemtic Name: 3-azanyl-4-oxidanylidene-4-(2-phenylethanoylamino)butanoic acid; ethanoic acid Openeye Name: acetic acid; 3-amino-4-oxo-4-[(2-phenylacetyl)amino]butanoic acid CAS Name: acetic acid; 3-amino-4-oxo-4-[(1-oxo-2-phenylethyl)amino]butanoic acid IUPAC Name: acetic acid; 3-amino-4-oxo-4-[(2-phenylacetyl)amino]butanoic acid Traditional Name: acetic acid; 3-amino-4-keto-4-[(2-phenylacetyl)amino]butyric acid Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4.C2H4O2/c13-9(7-11(16)17)12(18)14-10(15)6-8-4-2-1-3-5-8;1-2(3)4/h1-5,9H,6-7,13H2,(H,16,17)(H,14,15,18);1H3,(H,3,4)