2-(dimethylamino)-3-(3-methyl-5-sulfanyl-imidazol-4-yl)propanoic acid

Systemtic Name: 2-(dimethylamino)-3-(3-methyl-5-sulfanyl-imidazol-4-yl)propanoic acid Openeye Name: 2-(dimethylamino)-3-(3-methyl-5-sulfanyl-imidazol-4-yl)propanoic acid CAS Name: 2-(dimethylamino)-3-(5-mercapto-3-methyl-4-imidazolyl)propanoic acid IUPAC Name: 2-(dimethylamino)-3-(3-methyl-5-sulfanylimidazol-4-yl)propanoic acid Traditional Name: 2-(dimethylamino)-3-(5-mercapto-3-methyl-imidazol-4-yl)propionic acid Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1CC(C(=O)O)N(C)C)S

Isomeric SMILES

CN1C=NC(=C1CC(C(=O)O)N(C)C)S

InChI

InChI=1S/C9H15N3O2S/c1-11(2)7(9(13)14)4-6-8(15)10-5-12(6)3/h5,7,15H,4H2,1-3H3,(H,13,14)