Boc-saxagliptin

CAS Registry Number®

709031-43-6

CAS Name

Boc-saxagliptin

Molecular Formula

C23H33N3O4

Molecular Mass

415.53

Cite this Page

Boc-saxagliptin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=709031-43-6 (retrieved 2024-11-24) (CAS RN: 709031-43-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H33N3O4/c1-21(2,3)30-20(28)25-18(19(27)26-16(11-24)5-15-6-17(15)26)22-7-13-4-14(8-22)10-23(29,9-13)12-22/h13-18,29H,4-10,12H2,1-3H3,(H,25,28)/t13?,14?,15-,16+,17+,18-,22?,23?/m1/s1

InChIKey

InChIKey=DZEAFYQJPRVNIQ-FPXKHEBGSA-N

SMILES

[C@H](C(=O)N1[C@@]2([C@@](C2)(C[C@H]1C#N)[H])[H])(NC(OC(C)(C)C)=O)C34CC5(O)CC(C3)CC(C4)C5

Canonical SMILES

N#CC1N(C(=O)C(NC(=O)OC(C)(C)C)C23CC4CC(CC(O)(C4)C2)C3)C5CC5C1

Other Names for this Substance

  • Carbamic acid, N-[(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, [(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester
  • Boc-saxagliptin
  • tert-Butyl [(1S)-2-((1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxytricyclo[3.3.1.13,7]decan-1-yl)-2-oxoethyl]carbamate

CAS INSIGHTSTM
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