Molecule ID: 71464589

IUPAC Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid

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

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

SELFIES: [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][#C][N][=C][Branch1][C][O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C15H25N3O8/c1-3-7(2)12(15(25)26)18-14(24)9(6-11(21)22)17-13(23)8(16)4-5-10(19)20/h7-9,12H,3-6,16H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)(H,25,26)/t7-,8-,9-,12-/m0/s1

Molecular Properties:
- Polar Surface Area: 196.0 Ų
- LogP: -3.4