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

Systemtic Name: 2-(methylamino)-3-(3-methyl-5-sulfanyl-imidazol-4-yl)propanoic acid Openeye Name: 2-(methylamino)-3-(3-methyl-5-sulfanyl-imidazol-4-yl)propanoic acid CAS Name: 3-(5-mercapto-3-methyl-4-imidazolyl)-2-(methylamino)propanoic acid IUPAC Name: 2-(methylamino)-3-(3-methyl-5-sulfanylimidazol-4-yl)propanoic acid Traditional Name: 3-(5-mercapto-3-methyl-imidazol-4-yl)-2-(methylamino)propionic acid Formula: C8H13N3O2S MolecularWeight: 215.27272

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=C(N=CN1C)S)C(=O)O

Isomeric SMILES

CNC(CC1=C(N=CN1C)S)C(=O)O

InChI

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