2-[(2-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoyl)amino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[(2-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoyl)amino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[(2-acetylsulfanyl-4-oxo-4-phenyl-butanoyl)amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-(acetylthio)-1,4-dioxo-4-phenylbutyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[(2-acetylsulfanyl-4-oxo-4-phenylbutanoyl)amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(acetylthio)-4-keto-4-phenyl-butanoyl]amino]-3-(methylthio)propionic acid Formula: C16H19NO5S2 MolecularWeight: 369.45576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5S2/c1-10(18)24-14(8-13(19)11-6-4-3-5-7-11)15(20)17-12(9-23-2)16(21)22/h3-7,12,14H,8-9H2,1-2H3,(H,17,20)(H,21,22)