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Substance Name: N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid
RN: 95654-14-1
InChIKey: KYUCASQEHSSEQO-UHFFFAOYSA-N

Molecular Formula

  • C22-H32-F7-N-O7

Molecular Weight

  • 555.481
 
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Names and Synonyms

Name of Substance

  • N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid

Synonyms

  • gamma-Carboxyglutamic acid n-heptafluorobutyryl isobutyl ester
  • Hfb-gla

Systematic Name

  • 1,1,3-Propanetricarboxylic acid, 3-((2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino)-, tris(2-methylpropyl) ester

Registry Numbers

CAS Registry Number

  • 95654-14-1

System Generated Number

  • 0095654141

Structure Descriptors

InChI

1S/C22H32F7NO7/c1-7-11(4)35-16(31)14(17(32)36-12(5)8-2)10-15(18(33)37-13(6)9-3)30-19(34)20(23,24)21(25,26)22(27,28)29/h11-15H,7-10H2,1-6H3,(H,30,34)

InChIKey

KYUCASQEHSSEQO-UHFFFAOYSA-N

Smiles

C[C@@H](OC([C@@H](NC(=O)C(F)(F)C(C(F)(F)F)(F)F)CC(C(O[C@@H](C)CC)=O)C(O[C@@H](C)CC)=O)=O)CC