2-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-4-(1H-imidazol-2-yl)-2-methyl-4-oxidanylidene-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O6S/c1-7(17)16-8(11(19)20)6-23-13(2,12(21)22)5-9(18)10-14-3-4-15-10/h3-4,8H,5-6H2,1-2H3,(H,14,15)(H,16,17)(H,19,20)(H,21,22)