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

Systemtic Name: 2-[[4-methoxy-1-(2-oxidanylidene-1-sulfanyl-propyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-methoxy-1-(2-oxo-1-sulfanyl-propyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-(1-mercapto-2-oxopropyl)-4-methoxycyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-methoxy-1-(2-oxo-1-sulfanylpropyl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(2-keto-1-mercapto-propyl)-4-methoxy-cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1(CCC(CC1)OC)C(=O)NC(CC2=CC=CC=C2)C(=O)O)S

Isomeric SMILES

CC(=O)C(C1(CCC(CC1)OC)C(=O)NC(CC2=CC=CC=C2)C(=O)O)S

InChI

InChI=1S/C20H27NO5S/c1-13(22)17(27)20(10-8-15(26-2)9-11-20)19(25)21-16(18(23)24)12-14-6-4-3-5-7-14/h3-7,15-17,27H,8-12H2,1-2H3,(H,21,25)(H,23,24)