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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)-3-(phenylcarbonylsulfanyl)propanoic acid Openeye Name: 3-benzoylsulfanyl-3-[(4-tert-butylphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)propanoic acid CAS Name: 3-(benzoylthio)-3-[(4-tert-butylphenyl)methylthio]-2-[(2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-benzoylsulfanyl-3-[(4-tert-butylphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)propanoic acid Traditional Name: 3-(benzoylthio)-3-[(4-tert-butylbenzyl)thio]-2-(isobutyrylamino)propionic acid Formula: C25H31NO4S2 MolecularWeight: 473.64794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(C(SCC1=CC=C(C=C1)C(C)(C)C)SC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC(C(SCC1=CC=C(C=C1)C(C)(C)C)SC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H31NO4S2/c1-16(2)21(27)26-20(22(28)29)24(32-23(30)18-9-7-6-8-10-18)31-15-17-11-13-19(14-12-17)25(3,4)5/h6-14,16,20,24H,15H2,1-5H3,(H,26,27)(H,28,29)