Molecule ID: 9838453

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]butanedioic acid

Description: The molecule is a tripeptide composed of two L-alanyl and an L-aspartic acid residue joined in sequence. It has a role as a metabolite. It derives from a L-alanine and a L-aspartic acid.

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

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

InChI: InChI=1S/C10H17N3O6/c1-4(11)8(16)12-5(2)9(17)13-6(10(18)19)3-7(14)15/h4-6H,3,11H2,1-2H3,(H,12,16)(H,13,17)(H,14,15)(H,18,19)/t4-,5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: -4.0