Molecule ID: 86290073

IUPAC Name: (2S)-2-azaniumyl-5-[2-(4-hydroxyphenyl)ethylamino]-5-oxopentanoate

Description: The molecule is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of gamma-glutamyltyramine It is a tautomer of a gamma-glutamyltyramine.

SMILES: N[C@@H](CCC(O)=NCCc1ccc(O)cc1)C(=O)O

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

InChI: InChI=1S/C13H18N2O4/c14-11(13(18)19)5-6-12(17)15-8-7-9-1-3-10(16)4-2-9/h1-4,11,16H,5-8,14H2,(H,15,17)(H,18,19)/t11-/m0/s1

Molecular Properties:
- Polar Surface Area: 117.0 Ų
- LogP: -1.5