2-[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]sulfanylpentanoic acid

Systemtic Name: 2-[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]sulfanylpentanoic acid Openeye Name: 2-[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]sulfanylpentanoic acid CAS Name: 2-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]thio]pentanoic acid IUPAC Name: 2-[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]sulfanylpentanoic acid Traditional Name: 2-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]thio]valeric acid Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC(CC1=CN=CN1)C(=O)O

Isomeric SMILES

CCCC(C(=O)O)SC(CC1=CN=CN1)C(=O)O

InChI

InChI=1S/C11H16N2O4S/c1-2-3-8(10(14)15)18-9(11(16)17)4-7-5-12-6-13-7/h5-6,8-9H,2-4H2,1H3,(H,12,13)(H,14,15)(H,16,17)