2-[[4-[[1-[2-(dimethylaminomethyl)-1,3-oxazol-5-yl]-2-ethylsulfanyl-ethoxy]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[[1-[2-(dimethylaminomethyl)-1,3-oxazol-5-yl]-2-ethylsulfanyl-ethoxy]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-[2-(dimethylaminomethyl)oxazol-5-yl]-2-ethylsulfanyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[1-[2-(dimethylaminomethyl)-5-oxazolyl]-2-(ethylthio)ethoxy]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[1-[2-(dimethylaminomethyl)-1,3-oxazol-5-yl]-2-ethylsulfanylethoxy]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[1-[2-(dimethylaminomethyl)oxazol-5-yl]-2-(ethylthio)ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C30H39N3O5S2 MolecularWeight: 585.77776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H39N3O5S2/c1-6-40-19-27(26-16-31-28(38-26)17-33(3)4)37-18-21-11-12-23(24(15-21)22-10-8-7-9-20(22)2)29(34)32-25(30(35)36)13-14-39-5/h7-12,15-16,25,27H,6,13-14,17-19H2,1-5H3,(H,32,34)(H,35,36)