JPD
methyl (1S,3S,4R)-4-hydroxy-3-[(1S)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
Find entries where: JPD
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
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Name | methyl (1S,3S,4R)-4-hydroxy-3-[(1S)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate |
Identifiers | methyl (3~{S})-4-oxidanyl-3-[(1~{S})-1-oxidanylpropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate |
Formula | C12 H21 N O4 |
Molecular Weight | 243.299 |
Type | NON-POLYMER |
Isomeric SMILES | CC[C@@H]([C@H]1C2(CCC(N1C(=O)OC)CC2)O)O |
InChI | InChI=1S/C12H21NO4/c1-3-9(14)10-12(16)6-4-8(5-7-12)13(10)11(15)17-2/h8-10,14,16H,3-7H2,1-2H3/t8-,9-,10-,12-/m0/s1 |
InChIKey | VZRPKINLZWKPDQ-GMOBBJLQSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 38 |
Chiral Atom Count | 2 |
Bond Count | 39 |
Aromatic Bond Count | 0 |