Molecule ID: 7098621

IUPAC Name: 2-[[(2R)-2-azaniumyl-3-sulfanylpropanoyl]amino]acetate

Description: The molecule is the zwitterion of L-cysteinylglycine resulting from the transfer of a proton from the hydroxy group of glycine to the amino group of cysteine. Major microspecies at pH 7.3. It has a role as an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a human metabolite. It is a tautomer of a L-cysteinylglycine.

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

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

InChI: InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 97.9 Ų
- LogP: -3.1