Molecule ID: 71464665

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

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

SMILES: CC(C)[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H](N)CCC(=O)O)C(=O)O

SELFIES: [C][C][Branch1][C][C][C@H1][Branch2][Ring2][C][N][=C][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][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/C19H27N3O6/c1-11(2)16(19(27)28)22-18(26)14(10-12-6-4-3-5-7-12)21-17(25)13(20)8-9-15(23)24/h3-7,11,13-14,16H,8-10,20H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t13-,14-,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: -2.9