Molecule ID: 71464691

IUPAC Name: (3S)-3-[[(2S)-2-aminopropanoyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid

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

SMILES: C[C@H](N)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CO)C(=O)O

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

InChI: InChI=1S/C10H17N3O7/c1-4(11)8(17)12-5(2-7(15)16)9(18)13-6(3-14)10(19)20/h4-6,14H,2-3,11H2,1H3,(H,12,17)(H,13,18)(H,15,16)(H,19,20)/t4-,5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 179.0 Ų
- LogP: -5.4