Molecule ID: 71464666

IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

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

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

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

InChI: InChI=1S/C15H27N3O6/c1-7(2)11(14(22)18-12(8(3)4)15(23)24)17-13(21)9(16)5-6-10(19)20/h7-9,11-12H,5-6,16H2,1-4H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)/t9-,11-,12-/m0/s1

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: -3.9