Molecule ID: 25202985

IUPAC Name: (2S)-2-azaniumyl-5-[[(2S)-1-hydroxypropan-2-yl]amino]-5-oxopentanoate

Description: The molecule is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N-(gamma-L-glutamyl)-L-alaninol; major species at pH 7.3. It has a role as a bacterial metabolite. It is a tautomer of a N-(gamma-L-glutamyl)-L-alaninol.

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

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

InChI: InChI=1S/C8H16N2O4/c1-5(4-11)10-7(12)3-2-6(9)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)/t5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 117.0 Ų
- LogP: -3.4