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Substance Name: Brevianamide E
RN: 23454-27-5
UNII: CKM5RSM01T
InChIKey: YAQYEBABECUWBT-AFMUBRCDSA-N

Note

  • Originally isolated from Penicillium brevicompactum.

Molecular Formula

  • C21-H25-N3-O3

Molecular Weight

  • 367.4465
 
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Names and Synonyms

Results Name

  • Brevianamide E

Name of Substance

  • Brevianamide E

Synonyms

  • Brevianamide E
  • UNII-CKM5RSM01T

Systematic Name

  • 1H-Pyrrolo(1'',2'':4',5')pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-5,13(5aH,13aH)-dione, 11a-(1,1-dimethyl-2-propenyl)-2,3,6,6a,11,11a-hexahydro-6a-hydroxy-, (5aS-(5aalpha,6abeta,11abeta,13aalpha))-

Registry Numbers

CAS Registry Number

  • 23454-27-5

FDA UNII

  • CKM5RSM01T

Other Registry Numbers

  • 1352049-47-8
  • 26419-44-3

System Generated Number

  • 0023454275

Structure Descriptors

InChI

1S/C21H25N3O3/c1-4-19(2,3)21-20(27,13-8-5-6-9-14(13)22-21)12-16-17(25)23-11-7-10-15(23)18(26)24(16)21/h4-6,8-9,15-16,22,27H,1,7,10-12H2,2-3H3/t15-,16-,20+,21-/m0/s1

InChIKey

YAQYEBABECUWBT-AFMUBRCDSA-N

Smiles

CC(C)(C=C)[C@@]12Nc3ccccc3[C@]1(O)C[C@@H]4N2C(=O)[C@@H]5CCCN5C4=O