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Substance Name: Batzelladine A
RN: 147664-18-4
InChIKey: WZGMBJKFYVONHF-PSFKQYMZSA-N

Molecular Formula

  • C42-H73-N9-O4

Molecular Weight

  • 768.0977
 
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Names and Synonyms

Results Name

  • Batzelladine A

Synonym

  • Batzelladine A

Systematic Names

  • 1H-5,6,8b-Triazaacenaphthylene-3-carboxylic acid, 2,2a,3,4,5,7,8,8a-octahydro-4-methyl-7-nonyl-, 9-(1-amino-4-((4-((aminoiminomethyl)amino)butoxy)carbonyl)-3,5,6,7- tetrahydropyrrolo(1,2-c)pyrimidin-3-yl)nonyl ester, (2aalpha,3beta,4beta,7alpha,8abeta)-
  • Batzelladine A

Registry Numbers

CAS Registry Number

  • 147664-18-4

System Generated Number

  • 0147664184

Structure Descriptors

InChI

1S/C42H73N9O4/c1-3-4-5-6-8-11-14-20-31-29-32-23-24-35-36(30(2)47-42(48-31)51(32)35)38(52)54-27-17-13-10-7-9-12-15-21-33-37(34-22-19-26-50(34)41(45)49-33)39(53)55-28-18-16-25-46-40(43)44/h30-33,35-36H,3-29H2,1-2H3,(H2,45,49)(H,47,48)(H4,43,44,46)/t30-,31+,32?,33?,35?,36?/m1/s1

InChIKey

WZGMBJKFYVONHF-PSFKQYMZSA-N

Smiles

CCCCCCCCC[C@H]1CC2CCC3N2C(=N[C@@H](C3C(=O)OCCCCCCCCCC4C(=C5CCCN5C(=N)N4)C(=O)OCCCCNC(=N)N)C)N1