methyl (2S,5R)-1-(2-chloranylethanoyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate

Systemtic Name: methyl (2S,5R)-1-(2-chloranylethanoyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate Openeye Name: methyl (2S,5R)-5-(tert-butoxycarbonylamino)-1-(2-chloroacetyl)piperidine-2-carboxylate CAS Name: (2S,5R)-1-(2-chloro-1-oxoethyl)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,5R)-1-(2-chloroacetyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate Traditional Name: (2S,5R)-5-(tert-butoxycarbonylamino)-1-(2-chloroacetyl)pipecolinic acid methyl ester Formula: C14H23ClN2O5 MolecularWeight: 334.79582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(N(C1)C(=O)CCl)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1CC[C@H](N(C1)C(=O)CCl)C(=O)OC

InChI

InChI=1S/C14H23ClN2O5/c1-14(2,3)22-13(20)16-9-5-6-10(12(19)21-4)17(8-9)11(18)7-15/h9-10H,5-8H2,1-4H3,(H,16,20)/t9-,10+/m1/s1