2-[[4-(1-azanyl-2,3-dicyclohexyl-propyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(1-azanyl-2,3-dicyclohexyl-propyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(1-amino-2,3-dicyclohexyl-propyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(1-amino-2,3-dicyclohexylpropyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(1-amino-2,3-dicyclohexylpropyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(1-amino-2,3-dicyclohexyl-propyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C34H48N2O3S MolecularWeight: 564.82152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C(CC3CCCCC3)C4CCCCC4)N)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C(CC3CCCCC3)C4CCCCC4)N)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C34H48N2O3S/c1-23-11-9-10-16-27(23)30-22-26(17-18-28(30)33(37)36-31(34(38)39)19-20-40-2)32(35)29(25-14-7-4-8-15-25)21-24-12-5-3-6-13-24/h9-11,16-18,22,24-25,29,31-32H,3-8,12-15,19-21,35H2,1-2H3,(H,36,37)(H,38,39)