2-azanyl-3-(1,2-dimethylimidazol-4-yl)-2-sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-(1,2-dimethylimidazol-4-yl)-2-sulfanyl-propanoic acid Openeye Name: 2-amino-3-(1,2-dimethylimidazol-4-yl)-2-sulfanyl-propanoic acid CAS Name: 2-amino-3-(1,2-dimethyl-4-imidazolyl)-2-mercaptopropanoic acid IUPAC Name: 2-amino-3-(1,2-dimethylimidazol-4-yl)-2-sulfanylpropanoic acid Traditional Name: 2-amino-3-(1,2-dimethylimidazol-4-yl)-2-mercapto-propionic acid Formula: C8H13N3O2S MolecularWeight: 215.27272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1C)CC(C(=O)O)(N)S

Isomeric SMILES

CC1=NC(=CN1C)CC(C(=O)O)(N)S

InChI

InChI=1S/C8H13N3O2S/c1-5-10-6(4-11(5)2)3-8(9,14)7(12)13/h4,14H,3,9H2,1-2H3,(H,12,13)