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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6S/c1-8(17)16-11(14(21)22)7-23-6-9(5-12(18)19)13(20)10-3-2-4-15-10/h2-4,9,11,15H,5-7H2,1H3,(H,16,17)(H,18,19)(H,21,22)