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Substance Name: Peritoxin A
RN: 145585-98-4
InChIKey: BCPPKCDYZCXCGK-UHFFFAOYSA-N

Note

  • Host-specific toxin from fungal pathogen Periconia circinata.

Molecular Formula

  • C20-H29-Cl3-N4-O9

Molecular Weight

  • 575.827
 
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Names and Synonyms

Name of Substance

  • Peritoxin A

Systematic Name

  • Cyclopropaneacetic acid, 3-(((2-((6-aminohexahydro-4-hydroxy-2-oxo-1H-azepin-3-yl)amino)-1-(carboxymethyl)-2-oxoethyl)amino)carbonyl)-alpha,2-dichloro-2-(1-chloro-3-hydroxybutyl)-

Registry Numbers

CAS Registry Number

  • 145585-98-4

System Generated Number

  • 0145585984

Structure Descriptors

InChI

1S/C20H29Cl3N4O9/c1-6(28)2-10(21)20(23)12(14(22)19(35)36)13(20)17(33)26-8(4-11(30)31)16(32)27-15-9(29)3-7(24)5-25-18(15)34/h6-10,12-15,28-29H,2-5,24H2,1H3,(H,25,34)(H,26,33)(H,27,32)(H,30,31)(H,35,36)

InChIKey

BCPPKCDYZCXCGK-UHFFFAOYSA-N

Smiles

C([C@@H]([C@@H]1[C@@]([C@@H]1C(=O)N[C@@H](C(=O)N[C@@H]1C(NC[C@@H](C[C@@H]1O)N)=O)CC(=O)O)([C@@H](C[C@@H](C)O)Cl)Cl)Cl)(=O)O