Molecule ID: 9903482

IUPAC Name: (2S)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid

Description: The molecule is a dipeptide that is the N-acetyl derivative of carnosine. It has a role as a metabolite. It derives from a carnosine.

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

SELFIES: [C][C][Branch1][C][O][=N][C][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/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: -1.5