3-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylmethyl]-4-(1H-imidazol-2-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylmethyl]-4-(1H-imidazol-2-yl)-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanylmethyl]-4-(1H-imidazol-2-yl)-4-oxo-butanoic acid CAS Name: 3-[[(2-acetamido-3-hydroxy-3-oxopropyl)thio]methyl]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid IUPAC Name: 3-[(2-acetamido-3-hydroxy-3-oxopropyl)sulfanylmethyl]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid Traditional Name: 3-[[(2-acetamido-3-hydroxy-3-keto-propyl)thio]methyl]-4-(1H-imidazol-2-yl)-4-keto-butyric acid Formula: C13H17N3O6S MolecularWeight: 343.35558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCC(CC(=O)O)C(=O)C1=NC=CN1)C(=O)O

Isomeric SMILES

CC(=O)NC(CSCC(CC(=O)O)C(=O)C1=NC=CN1)C(=O)O

InChI

InChI=1S/C13H17N3O6S/c1-7(17)16-9(13(21)22)6-23-5-8(4-10(18)19)11(20)12-14-2-3-15-12/h2-3,8-9H,4-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,21,22)