Molecule ID: 71728366

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

Description: The molecule is a tripeptide composed of L-threonine, L-aspartic acid, and glycine joined by a peptide linkage. It has a role as a metabolite. It derives from a L-threonine, a L-aspartic acid and a glycine.

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

SELFIES: [C][C@@H1][Branch1][C][O][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/C10H17N3O7/c1-4(14)8(11)10(20)13-5(2-6(15)16)9(19)12-3-7(17)18/h4-5,8,14H,2-3,11H2,1H3,(H,12,19)(H,13,20)(H,15,16)(H,17,18)/t4-,5+,8+/m1/s1

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