Molecule ID: 7017195

IUPAC Name: (2S)-2-amino-5-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-5-oxopentanoic acid

Description: The molecule is a glutamyl-L-amino acid obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of histidine. It has a role as a mammalian metabolite. It is a conjugate acid of a gamma-Glu-His(1-).

SMILES: N[C@@H](CCC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O)C(=O)O

SELFIES: [N][C@@H1][Branch2][Ring1][Branch2][C][C][C][Branch1][C][O][=N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H16N4O5/c12-7(10(17)18)1-2-9(16)15-8(11(19)20)3-6-4-13-5-14-6/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t7-,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 158.0 Ų
- LogP: -4.0