methyl 3-[[1-(2-cyclohexylethanoyl)pyrrolidin-2-yl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-[[1-(2-cyclohexylethanoyl)pyrrolidin-2-yl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-[[1-(2-cyclohexylacetyl)pyrrolidin-2-yl]methylsulfanyl]propanoate CAS Name: 3-[[1-(2-cyclohexyl-1-oxoethyl)-2-pyrrolidinyl]methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-(2-cyclohexylacetyl)pyrrolidin-2-yl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-[[1-(2-cyclohexylacetyl)pyrrolidin-2-yl]methylthio]propionic acid methyl ester Formula: C22H38N2O5S MolecularWeight: 442.61252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1CCCN1C(=O)CC2CCCCC2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1CCCN1C(=O)CC2CCCCC2)C(=O)OC

InChI

InChI=1S/C22H38N2O5S/c1-22(2,3)29-21(27)23-18(20(26)28-4)15-30-14-17-11-8-12-24(17)19(25)13-16-9-6-5-7-10-16/h16-18H,5-15H2,1-4H3,(H,23,27)