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Substance Name: ES 8891
RN: 129445-88-1
InChIKey: SYPWPWUSXPWLKW-ZQWQDMLBSA-N

Molecular Formula

  • C42-H60-N6-O6-S

Molecular Weight

  • 777.038
 
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Names and Synonyms

Name of Substance

  • ES 8891

Synonyms

  • ES-8891
  • N-Morpholinoacetyl-(1-naphthyl)-L-alanyl-(4-thiazolyl)-L-alanyl-4-amino-3-hydroxy-5-cyclohexylpentanoyl-n-hexylamide

Systematic Name

  • L-threo-Pentonamide, 5-cyclohexyl-2,4,5-trideoxy-N-hexyl-4-((N-(3-(1-naphthalenyl)-N-(4-morpholinylacetyl)-L-alanyl)-3-(4-thiazolyl)-L-alanyl)amino)-

Registry Numbers

CAS Registry Number

  • 129445-88-1

System Generated Number

  • 0129445881

Structure Descriptors

InChI

1S/C42H60N6O6S/c1-2-3-4-10-18-43-39(50)26-38(49)35(23-30-12-6-5-7-13-30)46-42(53)37(25-33-28-55-29-44-33)47-41(52)36(45-40(51)27-48-19-21-54-22-20-48)24-32-16-11-15-31-14-8-9-17-34(31)32/h8-9,11,14-17,28-30,35-38,49H,2-7,10,12-13,18-27H2,1H3,(H,43,50)(H,45,51)(H,46,53)(H,47,52)/t35-,36-,37-,38-/m0/s1

InChIKey

SYPWPWUSXPWLKW-ZQWQDMLBSA-N

Smiles

CCCCCCNC(=O)C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2cscn2)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)CN5CCOCC5)O