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

Systemtic Name: 2-[[1-(4-oxidanylidene-1-phenyl-3-sulfanyl-pentan-3-yl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(2-oxo-1-phenethyl-1-sulfanyl-propyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-(3-mercapto-4-oxo-1-phenylpentan-3-yl)cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(4-oxo-1-phenyl-3-sulfanylpentan-3-yl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(2-keto-1-mercapto-1-phenethyl-propyl)cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C27H33NO4S MolecularWeight: 467.62022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCC1=CC=CC=C1)(C2(CCCCC2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)S

Isomeric SMILES

CC(=O)C(CCC1=CC=CC=C1)(C2(CCCCC2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)S

InChI

InChI=1S/C27H33NO4S/c1-20(29)27(33,18-15-21-11-5-2-6-12-21)26(16-9-4-10-17-26)25(32)28-23(24(30)31)19-22-13-7-3-8-14-22/h2-3,5-8,11-14,23,33H,4,9-10,15-19H2,1H3,(H,28,32)(H,30,31)