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

Systemtic Name: 2-(2-methylpropanoylamino)-3-(phenylcarbonylsulfanyl)-3-[(4-propylphenyl)methylsulfanyl]propanoic acid Openeye Name: 3-benzoylsulfanyl-2-(2-methylpropanoylamino)-3-[(4-propylphenyl)methylsulfanyl]propanoic acid CAS Name: 3-(benzoylthio)-2-[(2-methyl-1-oxopropyl)amino]-3-[(4-propylphenyl)methylthio]propanoic acid IUPAC Name: 3-benzoylsulfanyl-2-(2-methylpropanoylamino)-3-[(4-propylphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-(benzoylthio)-2-(isobutyrylamino)-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)CSC(C(C(=O)O)NC(=O)C(C)C)SC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO4S2/c1-4-8-17-11-13-18(14-12-17)15-30-24(20(22(27)28)25-21(26)16(2)3)31-23(29)19-9-6-5-7-10-19/h5-7,9-14,16,20,24H,4,8,15H2,1-3H3,(H,25,26)(H,27,28)