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Substance Name: Xenocoumacin 1
RN: 105688-01-5
InChIKey: KJPBPENONKNTAB-UHFFFAOYSA-N

Note

  • From Xenorhabdus.

Molecular Formula

  • C22-H35-N5-O6

Molecular Weight

  • 465.547
 
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Names and Synonyms

Name of Substance

  • Xenocoumacin 1

Synonym

  • 4-Amino-7-((aminoiminomethyl)amino)-4,5,6,7-tetradeoxy-N-(1-(3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl)heptonamide

Systematic Name

  • Heptonamide, 4-amino-7-((aminoiminomethyl)amino)-4,5,6,7-tetradeoxy-N-(1-(3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl)-

Registry Numbers

CAS Registry Number

  • 105688-01-5

System Generated Number

  • 0105688015

Structure Descriptors

InChI

1S/C22H35N5O6/c1-11(2)9-14(16-10-12-5-3-7-15(28)17(12)21(32)33-16)27-20(31)19(30)18(29)13(23)6-4-8-26-22(24)25/h3,5,7,11,13-14,16,18-19,28-30H,4,6,8-10,23H2,1-2H3,(H,27,31)(H4,24,25,26)

InChIKey

KJPBPENONKNTAB-UHFFFAOYSA-N

Smiles

c1c2C[C@@H](OC(c2c(O)cc1)=O)[C@@H](CC(C)C)NC(=O)[C@@H]([C@@H]([C@@H](CCCNC(N)=N)N)O)O