Molecule ID: 71464662

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

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

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

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

InChI: InChI=1S/C20H29N3O6/c1-3-12(2)17(23-18(26)14(21)9-10-16(24)25)19(27)22-15(20(28)29)11-13-7-5-4-6-8-13/h4-8,12,14-15,17H,3,9-11,21H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)(H,28,29)/t12-,14-,15-,17-/m0/s1

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: -1.5