4-methylsulfanyl-2-[[4-[(1-methylsulfanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)carbamoyl]-2-phenyl-phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[4-[(1-methylsulfanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)carbamoyl]-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[4-[[3-hydroxy-1-(methylsulfanylmethyl)-3-oxo-propyl]carbamoyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[[4-hydroxy-1-(methylthio)-4-oxobutan-2-yl]amino]-oxomethyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(4-hydroxy-1-methylsulfanyl-4-oxobutan-2-yl)carbamoyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[3-hydroxy-3-keto-1-[(methylthio)methyl]propyl]carbamoyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C24H28N2O6S2 MolecularWeight: 504.61892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(=O)NC(CC(=O)O)CSC)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(=O)NC(CC(=O)O)CSC)C2=CC=CC=C2

InChI

InChI=1S/C24H28N2O6S2/c1-33-11-10-20(24(31)32)26-23(30)18-9-8-16(12-19(18)15-6-4-3-5-7-15)22(29)25-17(14-34-2)13-21(27)28/h3-9,12,17,20H,10-11,13-14H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)(H,31,32)