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Substance Name: Trapoxin A
RN: 133155-89-2
InChIKey: GXVXXETYXSPSOA-UFEOFEBPSA-N

Note

  • From Helicoma ambiens.

Classification Codes

  • Antibiotics, Antineoplastic
  • Antineoplastic Agents
  • Enzyme Inhibitors
  • Histone Deacetylase Inhibitors

Molecular Formula

  • C34-H42-N4-O6

Molecular Weight

  • 602.728
 
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Names and Synonyms

Name of Substance

  • Trapoxin A

Synonyms

  • Cyclo((S)-phenylalanyl-(S)-phenylalanyl-(R)-pipecolinyl-(2S,9S)-2-amino-8-oxo-9,10-epoxydecanoyl)
  • Trapoxin

Systematic Name

  • Cyclo((S)-gamma-oxo-L-alpha-aminooxiraneoctanoyl-L-phenylalanyl-L-phenylalanyl-D-2-piperidinecarbonyl)

Registry Numbers

CAS Registry Number

  • 133155-89-2

System Generated Number

  • 0133155892

Structure Descriptors

InChI

1S/C34H42N4O6/c39-29(30-22-44-30)18-9-3-8-16-25-31(40)36-26(20-23-12-4-1-5-13-23)32(41)37-27(21-24-14-6-2-7-15-24)34(43)38-19-11-10-17-28(38)33(42)35-25/h1-2,4-7,12-15,25-28,30H,3,8-11,16-22H2,(H,35,42)(H,36,40)(H,37,41)/t25-,26-,27-,28+,30-/m0/s1

InChIKey

GXVXXETYXSPSOA-UFEOFEBPSA-N

Smiles

N12C([C@@H](NC([C@H](Cc3ccccc3)NC([C@@H](NC([C@H]1CCCC2)=O)CCCCCC([C@H]1OC1)=O)=O)=O)Cc1ccccc1)=O