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

Systemtic Name: 3-[(4-ethylphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)-3-(phenylcarbonylsulfanyl)propanoic acid Openeye Name: 3-benzoylsulfanyl-3-[(4-ethylphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)propanoic acid CAS Name: 3-(benzoylthio)-3-[(4-ethylphenyl)methylthio]-2-[(2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-benzoylsulfanyl-3-[(4-ethylphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)propanoic acid Traditional Name: 3-(benzoylthio)-3-[(4-ethylbenzyl)thio]-2-(isobutyrylamino)propionic acid Formula: C23H27NO4S2 MolecularWeight: 445.59478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CSC(C(C(=O)O)NC(=O)C(C)C)SC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)CSC(C(C(=O)O)NC(=O)C(C)C)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H27NO4S2/c1-4-16-10-12-17(13-11-16)14-29-23(19(21(26)27)24-20(25)15(2)3)30-22(28)18-8-6-5-7-9-18/h5-13,15,19,23H,4,14H2,1-3H3,(H,24,25)(H,26,27)