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

Systemtic Name: 2-[[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]-methoxy-methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[2-(2-chlorophenyl)oxazol-5-yl]-methoxy-methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[2-(2-chlorophenyl)-5-oxazolyl]-methoxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]-methoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[2-(2-chlorophenyl)oxazol-5-yl]-methoxy-methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C30H29ClN2O5S MolecularWeight: 565.07966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=C(O3)C4=CC=CC=C4Cl)OC)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=C(O3)C4=CC=CC=C4Cl)OC)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C30H29ClN2O5S/c1-18-8-4-5-9-20(18)23-16-19(12-13-21(23)28(34)33-25(30(35)36)14-15-39-3)27(37-2)26-17-32-29(38-26)22-10-6-7-11-24(22)31/h4-13,16-17,25,27H,14-15H2,1-3H3,(H,33,34)(H,35,36)