Molecule ID: 7006458

IUPAC Name: (2S)-2-azaniumyl-5-[[(1S)-1-carboxylato-2-phenylethyl]amino]-5-oxopentanoate

Description: The molecule is a peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of gamma-Glu-Phe. Major species at pH 7.3. It has a role as a human urinary metabolite. It is a conjugate base of a gamma-Glu-Phe.

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

SELFIES: [N][C@@H1][Branch2][Ring1][=Branch2][C][C][C][Branch1][C][O-1][=N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/p-1/t10-,11-/m0/s1

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: -0.9