Molecule ID: 25200515

IUPAC Name: (2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate

Description: The molecule is an N-acyl-L-alpha-amino acid anion that is the conjugate base of N(2)-phenylacetyl-L-glutamine; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a N(2)-phenylacetyl-L-glutamine.

SMILES: N=C([O-])CC[C@H](N=C(O)Cc1ccccc1)C(=O)O

SELFIES: [N][=C][Branch1][C][O-1][C][C][C@H1][Branch1][#C][N][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C13H16N2O4/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)/p-1/t10-/m0/s1

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: 0.6