Molecule ID: 9964514

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

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

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

SELFIES: [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/C7H12N2O6/c8-3(1-5(11)12)6(13)9-4(2-10)7(14)15/h3-4,10H,1-2,8H2,(H,9,13)(H,11,12)(H,14,15)/t3-,4-/m0/s1

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: -5.2