Molecule ID: 7009564

IUPAC Name: (2S)-2-azaniumyl-5-[[(1S)-1-carboxylato-2-(4-hydroxyphenyl)ethyl]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-Tyr. Major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a gamma-Glu-Tyr.

SMILES: N[C@@H](CCC(O)=N[C@@H](Cc1ccc([O-])cc1)C(=O)O)C(=O)O

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

InChI: InChI=1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22)/p-1/t10-,11-/m0/s1

Molecular Properties:
- Polar Surface Area: 157.0 Ų
- LogP: -1.2