3-cyclohexyl-2-[[4-methoxy-1-(4-oxidanylidene-1-phenyl-3-sulfanyl-pentan-3-yl)cyclohexyl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-2-[[4-methoxy-1-(4-oxidanylidene-1-phenyl-3-sulfanyl-pentan-3-yl)cyclohexyl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-2-[[4-methoxy-1-(2-oxo-1-phenethyl-1-sulfanyl-propyl)cyclohexanecarbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-2-[[[1-(3-mercapto-4-oxo-1-phenylpentan-3-yl)-4-methoxycyclohexyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-2-[[4-methoxy-1-(4-oxo-1-phenyl-3-sulfanylpentan-3-yl)cyclohexanecarbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-2-[[1-(2-keto-1-mercapto-1-phenethyl-propyl)-4-methoxy-cyclohexanecarbonyl]amino]propionic acid Formula: C28H41NO5S MolecularWeight: 503.69384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCC1=CC=CC=C1)(C2(CCC(CC2)OC)C(=O)NC(CC3CCCCC3)C(=O)O)S

Isomeric SMILES

CC(=O)C(CCC1=CC=CC=C1)(C2(CCC(CC2)OC)C(=O)NC(CC3CCCCC3)C(=O)O)S

InChI

InChI=1S/C28H41NO5S/c1-20(30)28(35,18-13-21-9-5-3-6-10-21)27(16-14-23(34-2)15-17-27)26(33)29-24(25(31)32)19-22-11-7-4-8-12-22/h3,5-6,9-10,22-24,35H,4,7-8,11-19H2,1-2H3,(H,29,33)(H,31,32)