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

Systemtic Name: 2-(2-methylpropanoylamino)-3-(phenylcarbonylsulfanyl)-3-[(4-propan-2-ylphenyl)methylsulfanyl]propanoic acid Openeye Name: 3-benzoylsulfanyl-3-[(4-isopropylphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)propanoic acid CAS Name: 3-(benzoylthio)-2-[(2-methyl-1-oxopropyl)amino]-3-[(4-propan-2-ylphenyl)methylthio]propanoic acid IUPAC Name: 3-benzoylsulfanyl-2-(2-methylpropanoylamino)-3-[(4-propan-2-ylphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-(benzoylthio)-2-(isobutyrylamino)-3-[(4-isopropylbenzyl)thio]propionic acid Formula: C24H29NO4S2 MolecularWeight: 459.62136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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