2-[[4-methoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-2-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[4-methoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-2-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[4-methoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-2-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[1-(mercaptomethyl)-4-methoxycyclohexyl]-oxomethyl]amino]-2-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[4-methoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-2-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[1-(mercaptomethyl)-4-methoxy-cyclohexanecarbonyl]amino]-2-(4-phenylphenyl)propionic acid Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC=CC=C2)(C(=O)O)NC(=O)C3(CCC(CC3)OC)CS

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CC=CC=C2)(C(=O)O)NC(=O)C3(CCC(CC3)OC)CS

InChI

InChI=1S/C24H29NO4S/c1-23(22(27)28,19-10-8-18(9-11-19)17-6-4-3-5-7-17)25-21(26)24(16-30)14-12-20(29-2)13-15-24/h3-11,20,30H,12-16H2,1-2H3,(H,25,26)(H,27,28)