2-[[4-[(3-cyclohexyl-1-pyridazin-4-yl-propoxy)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(3-cyclohexyl-1-pyridazin-4-yl-propoxy)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(3-cyclohexyl-1-pyridazin-4-yl-propoxy)methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[3-cyclohexyl-1-(4-pyridazinyl)propoxy]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(3-cyclohexyl-1-pyridazin-4-ylpropoxy)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(3-cyclohexyl-1-pyridazin-4-yl-propoxy)methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C33H41N3O4S MolecularWeight: 575.76134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CCC3CCCCC3)C4=CN=NC=C4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CCC3CCCCC3)C4=CN=NC=C4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C33H41N3O4S/c1-23-8-6-7-11-27(23)29-20-25(12-14-28(29)32(37)36-30(33(38)39)17-19-41-2)22-40-31(26-16-18-34-35-21-26)15-13-24-9-4-3-5-10-24/h6-8,11-12,14,16,18,20-21,24,30-31H,3-5,9-10,13,15,17,19,22H2,1-2H3,(H,36,37)(H,38,39)