2-[[4-(3-cyclohexyloxy-4-ethylsulfanyl-butyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(3-cyclohexyloxy-4-ethylsulfanyl-butyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[3-(cyclohexoxy)-4-ethylsulfanyl-butyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[3-cyclohexyloxy-4-(ethylthio)butyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(3-cyclohexyloxy-4-ethylsulfanylbutyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[3-(cyclohexoxy)-4-(ethylthio)butyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C31H43NO4S2 MolecularWeight: 557.80742

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(CCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C)OC3CCCCC3

Isomeric SMILES

CCSCC(CCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C)OC3CCCCC3

InChI

InChI=1S/C31H43NO4S2/c1-4-38-21-25(36-24-11-6-5-7-12-24)16-14-23-15-17-27(28(20-23)26-13-9-8-10-22(26)2)30(33)32-29(31(34)35)18-19-37-3/h8-10,13,15,17,20,24-25,29H,4-7,11-12,14,16,18-19,21H2,1-3H3,(H,32,33)(H,34,35)