tert-butyl (1S,4S,5R,6R)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-phenylselanyl-3-azabicyclo[2.1.1]hexane-3-carboxylate

Systemtic Name: tert-butyl (1S,4S,5R,6R)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-phenylselanyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Openeye Name: tert-butyl (1S,4S,5R,6R)-6-[(tert-butoxycarbonylamino)methyl]-5-phenylselanyl-3-azabicyclo[2.1.1]hexane-3-carboxylate CAS Name: (1S,4S,5R,6R)-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-5-(phenylseleno)-3-azabicyclo[2.1.1]hexane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,4S,5R,6R)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-phenylselanyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Traditional Name: (1S,4S,5R,6R)-6-[(tert-butoxycarbonylamino)methyl]-5-(phenylseleno)-3-azabicyclo[2.1.1]hexane-3-carboxylic acid tert-butyl ester Formula: C22H32N2O4Se MolecularWeight: 467.46048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1C2CN(C1C2[Se]C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC[C@H]1[C@H]2CN([C@@H]1[C@@H]2[Se]C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N2O4Se/c1-21(2,3)27-19(25)23-12-15-16-13-24(20(26)28-22(4,5)6)17(15)18(16)29-14-10-8-7-9-11-14/h7-11,15-18H,12-13H2,1-6H3,(H,23,25)/t15-,16+,17-,18+/m0/s1