3-[(4-methylphenyl)methylsulfanyl]-2-[2-(phenylcarbonylsulfanylmethyl)butanoylamino]propanoic acid

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-2-[2-(phenylcarbonylsulfanylmethyl)butanoylamino]propanoic acid Openeye Name: 2-[2-(benzoylsulfanylmethyl)butanoylamino]-3-(p-tolylmethylsulfanyl)propanoic acid CAS Name: 2-[[2-[(benzoylthio)methyl]-1-oxobutyl]amino]-3-[(4-methylphenyl)methylthio]propanoic acid IUPAC Name: 2-[2-(benzoylsulfanylmethyl)butanoylamino]-3-[(4-methylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[2-[(benzoylthio)methyl]butanoylamino]-3-[(4-methylbenzyl)thio]propionic acid Formula: C23H27NO4S2 MolecularWeight: 445.59478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC(=O)C1=CC=CC=C1)C(=O)NC(CSCC2=CC=C(C=C2)C)C(=O)O

Isomeric SMILES

CCC(CSC(=O)C1=CC=CC=C1)C(=O)NC(CSCC2=CC=C(C=C2)C)C(=O)O

InChI

InChI=1S/C23H27NO4S2/c1-3-18(14-30-23(28)19-7-5-4-6-8-19)21(25)24-20(22(26)27)15-29-13-17-11-9-16(2)10-12-17/h4-12,18,20H,3,13-15H2,1-2H3,(H,24,25)(H,26,27)