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Substance Name: tert-Butyloxycarbonyl-mononitrosamidocaffeidine
RN: 145439-00-5
InChIKey: LKQUZRCCKZTDTG-UHFFFAOYSA-N

Note

  • Nitrosated derivative of caffeidine with nitrosation at methylcarboxamide-N only.

Classification Code

  • Mutation Data

Molecular Formula

  • C12-H19-N5-O4

Molecular Weight

  • 297.313
 
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Names and Synonyms

Name of Substance

  • tert-Butyloxycarbonyl-mononitrosamidocaffeidine

Synonyms

  • CCRIS 6613
  • tert-(Butyloxy)carbonylmononitrosamidocaffeidine

Systematic Names

  • Carbamic acid, methyl(1-methyl-5-((methylnitrosoamino)carbonyl)-1H-imidazol-4-yl)-, 1,1-dimethylethyl ester
  • tert-Butyloxycarbonyl-mononitrosamidocaffeidine

Registry Numbers

CAS Registry Number

  • 145439-00-5

System Generated Number

  • 0145439005

Structure Descriptors

InChI

1S/C12H19N5O4/c1-12(2,3)21-11(19)16(5)9-8(15(4)7-13-9)10(18)17(6)14-20/h7H,1-6H3

InChIKey

LKQUZRCCKZTDTG-UHFFFAOYSA-N

Smiles

C(N(c1ncn(c1C(=O)N(N=O)C)C)C)(=O)OC(C)(C)C