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

Systemtic Name: 2-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2-methyl-4-oxidanylidene-4-(1H-pyrrol-3-yl)butanoic acid Openeye Name: 2-(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanyl-2-methyl-4-oxo-4-(1H-pyrrol-3-yl)butanoic acid CAS Name: 2-[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-2-methyl-4-oxo-4-(1H-pyrrol-3-yl)butanoic acid IUPAC Name: 2-(2-acetamido-3-hydroxy-3-oxopropyl)sulfanyl-2-methyl-4-oxo-4-(1H-pyrrol-3-yl)butanoic acid Traditional Name: 2-[(2-acetamido-3-hydroxy-3-keto-propyl)thio]-4-keto-2-methyl-4-(1H-pyrrol-3-yl)butyric acid Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6S/c1-8(17)16-10(12(19)20)7-23-14(2,13(21)22)5-11(18)9-3-4-15-6-9/h3-4,6,10,15H,5,7H2,1-2H3,(H,16,17)(H,19,20)(H,21,22)