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Substance Name: Asterinin E
RN: 172548-92-4
InChIKey: CJCYMDBASVMOKO-UHFFFAOYSA-N

Note

  • A pentapeptide isolated from the roots of Aster tataricus.

Molecular Formula

  • C26-H35-N5-O9

Molecular Weight

  • 561.5885
 
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Names and Synonyms

Name of Substance

  • Asterinin E

Synonyms

  • 2,3,4,5-Tetradehydroprolyl-allothreonyl-seryl-3-phenyl-beta-alanyl-L-allothreonine methyl ester
  • delta(2,4)-Pro-allo-thr-ser-betaphe-allo-throme
  • delta(2,4)-Pro-L-allo-thr-L-ser-L-betahe-L-allo-throme

Systematic Name

  • L-Allothreonine, N-(N-(N-(N-(2,3,4,5-tetradehydroprolyl)-L-allothreonyl)-L-seryl)-(R)-3-phenyl-beta-alanyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 172548-92-4

System Generated Number

  • 0172548924

Structure Descriptors

InChI

1S/C26H35N5O9/c1-14(33)21(31-23(36)17-10-7-11-27-17)25(38)29-19(13-32)24(37)28-18(16-8-5-4-6-9-16)12-20(35)30-22(15(2)34)26(39)40-3/h4-11,14-15,18-19,21-22,27,32-34H,12-13H2,1-3H3,(H,28,37)(H,29,38)(H,30,35)(H,31,36)

InChIKey

CJCYMDBASVMOKO-UHFFFAOYSA-N

Smiles

CC(C(C(=O)NC(CO)C(=O)NC(CC(=O)NC(C(C)O)C(=O)OC)c1ccccc1)NC(=O)c2ccc[nH]2)O