2-[[4-[(3-cyclohexyl-2-oxidanyl-propoxy)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(3-cyclohexyl-2-oxidanyl-propoxy)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(3-cyclohexyl-2-hydroxy-propoxy)methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(3-cyclohexyl-2-hydroxypropoxy)methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(3-cyclohexyl-2-hydroxypropoxy)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(3-cyclohexyl-2-hydroxy-propoxy)methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C29H39NO5S MolecularWeight: 513.68866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC(CC3CCCCC3)O)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC(CC3CCCCC3)O)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C29H39NO5S/c1-20-8-6-7-11-24(20)26-17-22(18-35-19-23(31)16-21-9-4-3-5-10-21)12-13-25(26)28(32)30-27(29(33)34)14-15-36-2/h6-8,11-13,17,21,23,27,31H,3-5,9-10,14-16,18-19H2,1-2H3,(H,30,32)(H,33,34)