Molecule ID: 13891595

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

Description: The molecule is a tripeptide composed of L-alanine, L-aspartic acid, and glycine units 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 glycine.

SMILES: C[C@H](N)C(O)=N[C@@H](CC(=O)O)C(O)=NCC(=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][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H15N3O6/c1-4(10)8(17)12-5(2-6(13)14)9(18)11-3-7(15)16/h4-5H,2-3,10H2,1H3,(H,11,18)(H,12,17)(H,13,14)(H,15,16)/t4-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: -4.8