2-[[4-[(2-ethylsulfanyl-1-phenyl-ethoxy)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(2-ethylsulfanyl-1-phenyl-ethoxy)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(2-ethylsulfanyl-1-phenyl-ethoxy)methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[2-(ethylthio)-1-phenylethoxy]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(2-ethylsulfanyl-1-phenylethoxy)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[2-(ethylthio)-1-phenyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C30H35NO4S2 MolecularWeight: 537.7332

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(C1=CC=CC=C1)OCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCSCC(C1=CC=CC=C1)OCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C30H35NO4S2/c1-4-37-20-28(23-11-6-5-7-12-23)35-19-22-14-15-25(26(18-22)24-13-9-8-10-21(24)2)29(32)31-27(30(33)34)16-17-36-3/h5-15,18,27-28H,4,16-17,19-20H2,1-3H3,(H,31,32)(H,33,34)