3-phenyl-2-[[4-(2-sulfanylethoxy)cyclohexyl]carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[[4-(2-sulfanylethoxy)cyclohexyl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[4-(2-sulfanylethoxy)cyclohexanecarbonyl]amino]propanoic acid CAS Name: 2-[[[4-(2-mercaptoethoxy)cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[4-(2-sulfanylethoxy)cyclohexanecarbonyl]amino]propanoic acid Traditional Name: 2-[[4-(2-mercaptoethoxy)cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O)OCCS

Isomeric SMILES

C1CC(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O)OCCS

InChI

InChI=1S/C18H25NO4S/c20-17(14-6-8-15(9-7-14)23-10-11-24)19-16(18(21)22)12-13-4-2-1-3-5-13/h1-5,14-16,24H,6-12H2,(H,19,20)(H,21,22)