Molecule ID: 71464619

IUPAC Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid

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

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

SELFIES: [C][C][Branch1][C][C][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@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=N][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C15H26N4O7/c1-7(2)5-8(16)13(23)19-10(6-12(21)22)14(24)18-9(15(25)26)3-4-11(17)20/h7-10H,3-6,16H2,1-2H3,(H2,17,20)(H,18,24)(H,19,23)(H,21,22)(H,25,26)/t8-,9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 202.0 Ų
- LogP: -4.2