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Substance Name: Beauverilide A
RN: 13594-27-9
UNII: 58ZNM4181Z
InChIKey: HJBLIOPGIUXVFY-KWTKYGEESA-N

Molecular Formula

  • C31-H49-N3-O5

Molecular Weight

  • 543.7441
 
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Names and Synonyms

Name of Substance

  • Beauverilide A

Synonyms

  • 1-Oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone, 6-benzyl-3-sec-butyl-9-isopropyl-13-octyl-, stereoisomer
  • Beauverilide A
  • Beauverolide BA
  • Cyclo(D-alloisoleucyl-3-hydroxy-4-methyldecanoyl-L-valyl-L-phenylalanyl)
  • D-Alloisoleucine, N-(N-(N-(3-hydroxy-4-methyl-1-oxodecyl)-L-valyl)-L-phenylalanyl)-, lambda-lactone
  • UNII-58ZNM4181Z

Registry Numbers

CAS Registry Number

  • 13594-27-9

FDA UNII

  • 58ZNM4181Z

System Generated Number

  • 0013594279

Structure Descriptors

InChI

1S/C31H49N3O5/c1-7-9-10-12-15-22(6)25-19-26(35)33-27(20(3)4)30(37)32-24(18-23-16-13-11-14-17-23)29(36)34-28(21(5)8-2)31(38)39-25/h11,13-14,16-17,20-22,24-25,27-28H,7-10,12,15,18-19H2,1-6H3,(H,32,37)(H,33,35)(H,34,36)/t21-,22?,24-,25?,27-,28+/m0/s1

InChIKey

HJBLIOPGIUXVFY-KWTKYGEESA-N

Smiles

CCCCCCC(C)C1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1