Molecule ID: 90658957

IUPAC Name: 2-[[(2R)-2-azaniumyl-3-[(E)-N-hydroxy-C-(3-methylsulfanylpropyl)carbonimidoyl]sulfanylpropanoyl]amino]acetate

Description: The molecule is a dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of any (E)-1-(glycyl-L-cystein-S-yl)-omega-(methylthio)alkylhydroximate; major species at pH 7.3.

SMILES: CSCCC/C(=N\O)SC[C@H](N)C(O)=NCC(=O)O

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

InChI: InChI=1S/C10H19N3O4S2/c1-18-4-2-3-8(13-17)19-6-7(11)10(16)12-5-9(14)15/h7,17H,2-6,11H2,1H3,(H,12,16)(H,14,15)/b13-8+/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 180.0 Ų
- LogP: -1.7