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Substance Name: Peritoxin B
RN: 145585-99-5
InChIKey: RSMNHRRWERNDLZ-UHFFFAOYSA-N

Note

  • Host-specific toxin from fungal pathogen Periconia circinata.

Molecular Formula

  • C20-H29-Cl3-N4-O8

Molecular Weight

  • 559.828
 
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Names and Synonyms

Name of Substance

  • Peritoxin B

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

  • 145585-99-5

System Generated Number

  • 0145585995

Structure Descriptors

InChI

1S/C20H29Cl3N4O8/c1-2-3-10(21)20(23)12(14(22)19(34)35)13(20)17(32)26-8(5-11(29)30)16(31)27-15-9(28)4-7(24)6-25-18(15)33/h7-10,12-15,28H,2-6,24H2,1H3,(H,25,33)(H,26,32)(H,27,31)(H,29,30)(H,34,35)

InChIKey

RSMNHRRWERNDLZ-UHFFFAOYSA-N

Smiles

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