2-[[1-(ethanoylsulfanylmethyl)-4-methoxy-cyclohexyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-(ethanoylsulfanylmethyl)-4-methoxy-cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(acetylsulfanylmethyl)-4-methoxy-cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[(acetylthio)methyl]-4-methoxycyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(acetylsulfanylmethyl)-4-methoxycyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-[(acetylthio)methyl]-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)SCC1(CCC(CC1)OC)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SCC1(CCC(CC1)OC)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

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