2-[[4-[[1-[5-(dimethylaminomethyl)furan-2-yl]-2-ethylsulfanyl-ethoxy]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[[1-[5-(dimethylaminomethyl)furan-2-yl]-2-ethylsulfanyl-ethoxy]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-[5-(dimethylaminomethyl)-2-furyl]-2-ethylsulfanyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[1-[5-(dimethylaminomethyl)-2-furanyl]-2-(ethylthio)ethoxy]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[1-[5-(dimethylaminomethyl)furan-2-yl]-2-ethylsulfanylethoxy]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[1-[5-(dimethylaminomethyl)-2-furyl]-2-(ethylthio)ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C31H40N2O5S2 MolecularWeight: 584.7897

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(C1=CC=C(O1)CN(C)C)OCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCSCC(C1=CC=C(O1)CN(C)C)OCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C31H40N2O5S2/c1-6-40-20-29(28-14-12-23(38-28)18-33(3)4)37-19-22-11-13-25(26(17-22)24-10-8-7-9-21(24)2)30(34)32-27(31(35)36)15-16-39-5/h7-14,17,27,29H,6,15-16,18-20H2,1-5H3,(H,32,34)(H,35,36)