cyclohexylmethanamine; 2-[[4-ethyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: cyclohexylmethanamine; 2-[[4-ethyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: cyclohexylmethanamine; 2-[[4-ethyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: cyclohexylmethanamine; 2-[[[4-ethyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: cyclohexylmethanamine; 2-[[4-ethyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: cyclohexylmethylamine; 2-[[4-ethyl-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C28H40N2O3S MolecularWeight: 484.6938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C.C1CCC(CC1)CN

Isomeric SMILES

CCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C.C1CCC(CC1)CN

InChI

InChI=1S/C21H25NO3S.C7H15N/c1-4-15-9-10-17(18(13-15)16-8-6-5-7-14(16)2)20(23)22-19(21(24)25)11-12-26-3;8-6-7-4-2-1-3-5-7/h5-10,13,19H,4,11-12H2,1-3H3,(H,22,23)(H,24,25);7H,1-6,8H2