methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-4-(3-oxidanylpropylsulfanyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-4-(3-oxidanylpropylsulfanyl)pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]-4-(3-hydroxypropylsulfanyl)pyrrolidine-2-carboxylate CAS Name: 1-[2-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-4-(3-hydroxypropylthio)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-(3-hydroxypropylsulfanyl)pyrrolidine-2-carboxylate Traditional Name: 1-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]-4-(3-hydroxypropylthio)pyrrolidine-2-carboxylic acid methyl ester Formula: C22H38N2O6S MolecularWeight: 458.61192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)OC)SCCCO

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)OC)SCCCO

InChI

InChI=1S/C22H38N2O6S/c1-22(2,3)30-21(28)23-18(15-9-6-5-7-10-15)19(26)24-14-16(31-12-8-11-25)13-17(24)20(27)29-4/h15-18,25H,5-14H2,1-4H3,(H,23,28)