Molecule ID: 71464564

IUPAC Name: (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Description: The molecule is a tripeptide composed of L-alanine, glycine, and L-histidine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-alanine, a glycine and a L-histidine.

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

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

InChI: InChI=1S/C11H17N5O4/c1-6(12)10(18)14-4-9(17)16-8(11(19)20)2-7-3-13-5-15-7/h3,5-6,8H,2,4,12H2,1H3,(H,13,15)(H,14,18)(H,16,17)(H,19,20)/t6-,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: -4.1