Molecule ID: 71464688

IUPAC Name: (3S)-3-amino-4-[[(2S)-5-amino-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid

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

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

SELFIES: [N][=C][Branch1][C][O][C][C][C@H1][Branch1][S][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][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/C12H20N4O8/c13-5(3-9(19)20)10(21)15-6(1-2-8(14)18)11(22)16-7(4-17)12(23)24/h5-7,17H,1-4,13H2,(H2,14,18)(H,15,21)(H,16,22)(H,19,20)(H,23,24)/t5-,6-,7-/m0/s1

Molecular Properties:
- Polar Surface Area: 222.0 Ų
- LogP: -6.6