Molecule ID: 71464663

IUPAC Name: (4S)-4-amino-5-[[(2S,3S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]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-serine joined by peptide linkages. It has a role as a metabolite. It derives from a L-glutamic acid, a L-isoleucine and a L-serine.

SMILES: CC[C@H](C)[C@H](N=C(O)[C@@H](N)CCC(=O)O)C(O)=N[C@@H](CO)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][Ring1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C14H25N3O7/c1-3-7(2)11(13(22)16-9(6-18)14(23)24)17-12(21)8(15)4-5-10(19)20/h7-9,11,18H,3-6,15H2,1-2H3,(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t7-,8-,9-,11-/m0/s1

Molecular Properties:
- Polar Surface Area: 179.0 Ų
- LogP: -4.5