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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)NC(CSCC2=CC=C(C=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)NC(CSCC2=CC=C(C=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C25H31NO4S2/c1-17(14-32-24(30)19-8-6-5-7-9-19)22(27)26-21(23(28)29)16-31-15-18-10-12-20(13-11-18)25(2,3)4/h5-13,17,21H,14-16H2,1-4H3,(H,26,27)(H,28,29)