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

Systemtic Name: 2-[[4-[3-cyclohexylpropoxy(1,3-oxazol-5-yl)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[3-cyclohexylpropoxy(oxazol-5-yl)methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[3-cyclohexylpropoxy(5-oxazolyl)methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[3-cyclohexylpropoxy(1,3-oxazol-5-yl)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[3-cyclohexylpropoxy(oxazol-5-yl)methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C32H40N2O5S MolecularWeight: 564.7354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=CO3)OCCCC4CCCCC4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=CO3)OCCCC4CCCCC4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C32H40N2O5S/c1-22-9-6-7-13-25(22)27-19-24(14-15-26(27)31(35)34-28(32(36)37)16-18-40-2)30(29-20-33-21-39-29)38-17-8-12-23-10-4-3-5-11-23/h6-7,9,13-15,19-21,23,28,30H,3-5,8,10-12,16-18H2,1-2H3,(H,34,35)(H,36,37)