2-[2,2-bis(phenylcarbonylsulfanyl)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2,2-bis(phenylcarbonylsulfanyl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2,2-bis(benzoylsulfanyl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2,2-bis(benzoylthio)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2,2-bis(benzoylsulfanyl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2,2-bis(benzoylthio)acetyl]amino]-4-(methylthio)butyric acid Formula: C21H21NO5S3 MolecularWeight: 463.59014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S3/c1-28-13-12-16(18(24)25)22-17(23)21(29-19(26)14-8-4-2-5-9-14)30-20(27)15-10-6-3-7-11-15/h2-11,16,21H,12-13H2,1H3,(H,22,23)(H,24,25)