Molecule ID: 23724544

IUPAC Name: (2S)-2-amino-5-oxo-5-(4-oxobutylamino)pentanoic acid

Description: The molecule is an L-glutamine derivative that is L-glutamine in which a hydrogen attached to the amide nitrogen is replaced by a 4-oxobutyl group. It has a role as an Escherichia coli metabolite. It is a L-glutamine derivative, an aldehyde and a non-proteinogenic L-alpha-amino acid. It is a tautomer of a gamma-glutamyl-gamma-aminobutyraldehyde zwitterion.

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

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

InChI: InChI=1S/C9H16N2O4/c10-7(9(14)15)3-4-8(13)11-5-1-2-6-12/h6-7H,1-5,10H2,(H,11,13)(H,14,15)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: -4.0