2-(2-methylpropanoylamino)-3-[(4-methylsulfanylphenyl)methylsulfanyl]-3-(phenylcarbonylsulfanyl)propanoic acid

Systemtic Name: 2-(2-methylpropanoylamino)-3-[(4-methylsulfanylphenyl)methylsulfanyl]-3-(phenylcarbonylsulfanyl)propanoic acid Openeye Name: 3-benzoylsulfanyl-2-(2-methylpropanoylamino)-3-[(4-methylsulfanylphenyl)methylsulfanyl]propanoic acid CAS Name: 3-(benzoylthio)-2-[(2-methyl-1-oxopropyl)amino]-3-[[4-(methylthio)phenyl]methylthio]propanoic acid IUPAC Name: 3-benzoylsulfanyl-2-(2-methylpropanoylamino)-3-[(4-methylsulfanylphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-(benzoylthio)-2-(isobutyrylamino)-3-[[4-(methylthio)benzyl]thio]propionic acid Formula: C22H25NO4S3 MolecularWeight: 463.6332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(C(SCC1=CC=C(C=C1)SC)SC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC(C(SCC1=CC=C(C=C1)SC)SC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H25NO4S3/c1-14(2)19(24)23-18(20(25)26)22(30-21(27)16-7-5-4-6-8-16)29-13-15-9-11-17(28-3)12-10-15/h4-12,14,18,22H,13H2,1-3H3,(H,23,24)(H,25,26)