(2S)-4-methyl-2-(4-sulfanylimidazol-1-yl)pentanoic acid

Systemtic Name: (2S)-4-methyl-2-(4-sulfanylimidazol-1-yl)pentanoic acid Openeye Name: (2S)-4-methyl-2-(4-sulfanylimidazol-1-yl)pentanoic acid CAS Name: (2S)-2-(4-mercapto-1-imidazolyl)-4-methylpentanoic acid IUPAC Name: (2S)-4-methyl-2-(4-sulfanylimidazol-1-yl)pentanoic acid Traditional Name: (2S)-2-(4-mercaptoimidazol-1-yl)-4-methyl-valeric acid Formula: C9H14N2O2S MolecularWeight: 214.28466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1C=C(N=C1)S

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)N1C=C(N=C1)S

InChI

InChI=1S/C9H14N2O2S/c1-6(2)3-7(9(12)13)11-4-8(14)10-5-11/h4-7,14H,3H2,1-2H3,(H,12,13)/t7-/m0/s1