2-[[2-cyclohexylethyl(methyl)amino]methylamino]-4-methylsulfanyl-2-(4-phenylphenyl)carbonyl-butanoic acid

Systemtic Name: 2-[[2-cyclohexylethyl(methyl)amino]methylamino]-4-methylsulfanyl-2-(4-phenylphenyl)carbonyl-butanoic acid Openeye Name: 2-[[2-cyclohexylethyl(methyl)amino]methylamino]-4-methylsulfanyl-2-(4-phenylbenzoyl)butanoic acid CAS Name: 2-[[2-cyclohexylethyl(methyl)amino]methylamino]-4-(methylthio)-2-[oxo-(4-phenylphenyl)methyl]butanoic acid IUPAC Name: 2-[[2-cyclohexylethyl(methyl)amino]methylamino]-4-methylsulfanyl-2-(4-phenylbenzoyl)butanoic acid Traditional Name: 2-[[2-cyclohexylethyl(methyl)amino]methylamino]-4-(methylthio)-2-(4-phenylbenzoyl)butyric acid Formula: C28H38N2O3S MolecularWeight: 482.67792

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1CCCCC1)CNC(CCSC)(C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN(CCC1CCCCC1)CNC(CCSC)(C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H38N2O3S/c1-30(19-17-22-9-5-3-6-10-22)21-29-28(27(32)33,18-20-34-2)26(31)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h4,7-8,11-16,22,29H,3,5-6,9-10,17-21H2,1-2H3,(H,32,33)