sodium (2S)-5-azanyl-5-oxidanylidene-2-(2-phenylethanoylamino)pentanoate

Systemtic Name: sodium (2S)-5-azanyl-5-oxidanylidene-2-(2-phenylethanoylamino)pentanoate Openeye Name: sodium (2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate CAS Name: sodium (2S)-5-amino-5-oxo-2-[(1-oxo-2-phenylethyl)amino]pentanoate IUPAC Name: sodium (2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate Traditional Name: sodium (2S)-5-amino-5-keto-2-[(2-phenylacetyl)amino]valerate Formula: C13H15N2NaO4 MolecularWeight: 286.25897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H16N2O4.Na/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9;/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19);/q;+1/p-1/t10-;/m0./s1