2-[[2-(2-methylphenyl)-4-phenethylsulfanyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-phenethylsulfanyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-phenethylsulfanyl-benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-(phenethylthio)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-phenethylsulfanylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-(phenethylthio)benzoyl]amino]butyric acid Formula: C27H29NO3S2 MolecularWeight: 479.65406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)SCCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)SCCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C27H29NO3S2/c1-19-8-6-7-11-22(19)24-18-21(33-17-14-20-9-4-3-5-10-20)12-13-23(24)26(29)28-25(27(30)31)15-16-32-2/h3-13,18,25H,14-17H2,1-2H3,(H,28,29)(H,30,31)