methyl (2S)-1-[(2R,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2R,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-butanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2R,3S)-3-(tert-butoxycarbonylamino)-4-cyclohexyl-2-hydroxy-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2R,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R,3S)-3-(tert-butoxycarbonylamino)-4-cyclohexyl-2-hydroxy-butanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H36N2O6 MolecularWeight: 412.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(C(=O)N2CCCC2C(=O)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](C(=O)N2CCC[C@H]2C(=O)OC)O

InChI

InChI=1S/C21H36N2O6/c1-21(2,3)29-20(27)22-15(13-14-9-6-5-7-10-14)17(24)18(25)23-12-8-11-16(23)19(26)28-4/h14-17,24H,5-13H2,1-4H3,(H,22,27)/t15-,16-,17+/m0/s1