2-[(4-methoxycyclohexyl)carbonyl-[1-(sulfanylmethoxy)ethyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-methoxycyclohexyl)carbonyl-[1-(sulfanylmethoxy)ethyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(4-methoxycyclohexanecarbonyl)-[1-(sulfanylmethoxy)ethyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[1-(mercaptomethoxy)ethyl-[(4-methoxycyclohexyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(4-methoxycyclohexanecarbonyl)-[1-(sulfanylmethoxy)ethyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[1-(mercaptomethoxy)ethyl-(4-methoxycyclohexanecarbonyl)amino]-3-phenyl-propionic acid Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2CCC(CC2)OC)OCS

Isomeric SMILES

CC(N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2CCC(CC2)OC)OCS

InChI

InChI=1S/C20H29NO5S/c1-14(26-13-27)21(19(22)16-8-10-17(25-2)11-9-16)18(20(23)24)12-15-6-4-3-5-7-15/h3-7,14,16-18,27H,8-13H2,1-2H3,(H,23,24)