Molecule ID: 440342

IUPAC Name: 2-amino-4-[5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl]butanoic acid

Description: The molecule is a L-histidine derivative and a non-proteinogenic L-alpha-amino acid. It has a role as a Saccharomyces cerevisiae metabolite. It is a tautomer of a 2-(3-amino-3-carboxypropyl)-L-histidine dizwitterion.

SMILES: NC(CCc1ncc(C[C@H](N)C(=O)O)[nH]1)C(=O)O

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

InChI: InChI=1S/C10H16N4O4/c11-6(9(15)16)1-2-8-13-4-5(14-8)3-7(12)10(17)18/h4,6-7H,1-3,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6?,7-/m0/s1

Molecular Properties:
- Polar Surface Area: 155.0 Ų
- LogP: -6.2