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Substance Name: Homodestruxin B
RN: 110538-19-7
InChIKey: WWALEZSSEHJILM-GNUKRQLOSA-N

Note

  • A cyclodepsipeptide; isolated from Alternaria brassicaea.

Molecular Formula

  • C31-H53-N5-O7

Molecular Weight

  • 607.788
 
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Names and Synonyms

Name of Substance

  • Homodestruxin B

Systematic Name

  • Destruxin B, 3-(N-methyl-L-isoleucine)-

Registry Numbers

CAS Registry Number

  • 110538-19-7

System Generated Number

  • 0110538197

Structure Descriptors

InChI

1S/C31H53N5O7/c1-10-19(5)25-30(41)35(9)26(20(6)11-2)31(42)34(8)21(7)27(38)32-15-14-24(37)43-23(17-18(3)4)29(40)36-16-12-13-22(36)28(39)33-25/h18-23,25-26H,10-17H2,1-9H3,(H,32,38)(H,33,39)/t19-,20-,21-,22-,23+,25-,26?/m0/s1

InChIKey

WWALEZSSEHJILM-GNUKRQLOSA-N

Smiles

O1C(CCNC([C@@H](N(C)C(=O)[C@@H]([C@H](CC)C)N(C)C([C@@H](NC([C@H]2N(C([C@@H]1CC(C)C)=O)CCC2)=O)[C@H](CC)C)=O)C)=O)=O