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Substance Name: Isariin C
RN: 80111-96-2
InChIKey: YBUNWQZCPQUPOR-UHFFFAOYSA-N

Molecular Formula

  • C28-H49-N5-O7

Molecular Weight

  • 567.723
 
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Names and Synonyms

Results Name

  • Isariin C

Synonym

  • Isariin C

Systematic Name

  • L-Alanine, N-(3-hydroxy-1-oxononyl)glycyl-L-valyl-D-leucyl-L-alanyl-, (5->1)-lactone 5

Registry Numbers

CAS Registry Number

  • 80111-96-2

System Generated Number

  • 0080111962

Structure Descriptors

InChI

1S/C28H49N5O7/c1-8-9-10-11-12-20-14-22(34)29-15-23(35)33-24(17(4)5)27(38)32-21(13-16(2)3)26(37)30-18(6)25(36)31-19(7)28(39)40-20/h16-21,24H,8-15H2,1-7H3,(H,29,34)(H,30,37)(H,31,36)(H,32,38)(H,33,35)

InChIKey

YBUNWQZCPQUPOR-UHFFFAOYSA-N

Smiles

N1[C@@H](C(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O[C@@H](CC(NCC1=O)=O)CCCCCC)CC(C)C