2-[[4-methoxy-1-(methylsulfonyloxymethyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-methoxy-1-(methylsulfonyloxymethyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-methoxy-1-(methylsulfonyloxymethyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-methoxy-1-(methylsulfonyloxymethyl)cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-methoxy-1-(methylsulfonyloxymethyl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-methoxy-1-(methylsulfonyloxymethyl)cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C19H27NO7S MolecularWeight: 413.48518

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)(COS(=O)(=O)C)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1CCC(CC1)(COS(=O)(=O)C)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H27NO7S/c1-26-15-8-10-19(11-9-15,13-27-28(2,24)25)18(23)20-16(17(21)22)12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3,(H,20,23)(H,21,22)