Molecule ID: 22885096

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

Description: The molecule is a glutamyl-L-amino acid having L-isoleucine as the L-amino acid component. It has a role as a human metabolite. It is a conjugate acid of a gamma-Glu-Ile(1-).

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

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

InChI: InChI=1S/C11H20N2O5/c1-3-6(2)9(11(17)18)13-8(14)5-4-7(12)10(15)16/h6-7,9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t6-,7-,9-/m0/s1

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: -3.5