2-[[4-(3-oxidanylidene-2-sulfanyl-butoxy)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-(3-oxidanylidene-2-sulfanyl-butoxy)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-(3-oxo-2-sulfanyl-butoxy)cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-(2-mercapto-3-oxobutoxy)cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-(3-oxo-2-sulfanylbutoxy)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-(3-keto-2-mercapto-butoxy)cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5S/c1-13(22)18(27)12-26-16-9-7-15(8-10-16)19(23)21-17(20(24)25)11-14-5-3-2-4-6-14/h2-6,15-18,27H,7-12H2,1H3,(H,21,23)(H,24,25)