rel-3-(1,1-Dimethylethyl) 7-(phenylmethyl) (1R,5R)-3,7-diazabicyclo[3.3.1]nonane-1,3,7-tricarboxylate

CAS Registry Number®

1250997-57-9
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CAS Name

rel-3-(1,1-Dimethylethyl) 7-(phenylmethyl) (1R,5R)-3,7-diazabicyclo[3.3.1]nonane-1,3,7-tricarboxylate

Molecular Formula

C21H28N2O6

Molecular Mass

404.46

Cite this Page

rel-3-(1,1-Dimethylethyl) 7-(phenylmethyl) (1R,5R)-3,7-diazabicyclo[3.3.1]nonane-1,3,7-tricarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1250997-57-9 (retrieved 2024-08-31) (CAS RN: 1250997-57-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C21H28N2O6/c1-20(2,3)29-19(27)23-11-16-9-21(14-23,17(24)25)13-22(10-16)18(26)28-12-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,24,25)/t16-,21-/s2

InChIKey

InChIKey=NKUKLRKOGRAUAF-SYAPSAMCNA-N

SMILES

C(O)(=O)[C@]12CN(C(OC(C)(C)C)=O)C[C@](C1)(CN(C(OCC3=CC=CC=C3)=O)C2)[H]

Canonical SMILES

O=C(OCC=1C=CC=CC1)N2CC3CN(C(=O)OC(C)(C)C)CC(C(=O)O)(C2)C3

Other Names for this Substance

  • 3,7-Diazabicyclo[3.3.1]nonane-1,3,7-tricarboxylic acid, 3-(1,1-dimethylethyl) 7-(phenylmethyl) ester, (1R,5R)-rel-
  • rel-3-(1,1-Dimethylethyl) 7-(phenylmethyl) (1R,5R)-3,7-diazabicyclo[3.3.1]nonane-1,3,7-tricarboxylate