2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]-3-[(4-propylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]-3-[(4-propylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)amino]-3-[(4-propylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]amino]-3-[(4-propylphenyl)methylthio]propanoic acid IUPAC Name: 2-[(3-benzoylsulfanyl-2-methylpropanoyl)amino]-3-[(4-propylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[[3-(benzoylthio)-2-methyl-propanoyl]amino]-3-[(4-propylbenzyl)thio]propionic acid Formula: C24H29NO4S2 MolecularWeight: 459.62136

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(C)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(C)CSC(=O)C2=CC=CC=C2

InChI

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