2-[[3-methyl-2-(phenylcarbonylsulfanylmethyl)butanoyl]amino]-3-[(4-methylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[[3-methyl-2-(phenylcarbonylsulfanylmethyl)butanoyl]amino]-3-[(4-methylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[[2-(benzoylsulfanylmethyl)-3-methyl-butanoyl]amino]-3-(p-tolylmethylsulfanyl)propanoic acid CAS Name: 2-[[2-[(benzoylthio)methyl]-3-methyl-1-oxobutyl]amino]-3-[(4-methylphenyl)methylthio]propanoic acid IUPAC Name: 2-[[2-(benzoylsulfanylmethyl)-3-methylbutanoyl]amino]-3-[(4-methylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[[2-[(benzoylthio)methyl]-3-methyl-butanoyl]amino]-3-[(4-methylbenzyl)thio]propionic acid Formula: C24H29NO4S2 MolecularWeight: 459.62136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(CSC(=O)C2=CC=CC=C2)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(CSC(=O)C2=CC=CC=C2)C(C)C

InChI

InChI=1S/C24H29NO4S2/c1-16(2)20(14-31-24(29)19-7-5-4-6-8-19)22(26)25-21(23(27)28)15-30-13-18-11-9-17(3)10-12-18/h4-12,16,20-21H,13-15H2,1-3H3,(H,25,26)(H,27,28)