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Substance Name: Aspochracin
RN: 22029-09-0
InChIKey: IOGJLABBWLQEBL-ZYZBBVCDSA-N

Molecular Formula

  • C23-H36-N4-O4

Molecular Weight

  • 432.561
 
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Names and Synonyms

  • Aspochracin
  • N-(3,4,7-Trimethyl-6-(1-methylethyl)-2,5,8-trioxo-1,4,7-triazacyclododecan-9-yl)-2,4,6-octatrienamide

Registry Numbers

CAS Registry Number

  • 22029-09-0

System Generated Number

  • 0022029090

Structure Descriptors

InChI

1S/C23H36N4O4/c1-7-8-9-10-11-12-15-26-18(13-14-19(24)29)21(30)23(4,16-28)27(6)22(31)20(25-5)17(2)3/h7-12,15-18,20,25H,13-14H2,1-6H3,(H2,24,29)/b8-7+,10-9+,12-11+,26-15+/t18-,20-,23-/m0/s1

InChIKey

IOGJLABBWLQEBL-ZYZBBVCDSA-N

Smiles

C(=O)[C@@](N(C)C([C@@H](NC)C(C)C)=O)(C)C([C@@H](\N=C\C=C\C=C\C=C\C)CCC(N)=O)=O