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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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