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Substance Name: Chir 4531
RN: 158198-48-2
InChIKey: GANLUHRILMMVRH-DHUJRADRSA-N

Note

  • A N-(substituted)glycine peptoid trimer.

Molecular Formula

  • C36-H38-N4-O6

Molecular Weight

  • 622.718
 
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Names and Synonyms

Name of Substance

  • Chir 4531

Synonyms

  • (N-(2,2-Diphenylethyl)glycyl)-(N-(3,4-(methylenedioxy)benzyl)glycyl)-N-(2-(4-hydroxyphenyl)ethyl)glycinamide
  • Chir-4531
  • N-(2,2-Diphenylethyl)glycyl-N-(1,3-benzodioxol-5-ylmethyl)glycyl-N2-(2-(4-hydroxyphenyl)ethyl)glycinamide

Systematic Name

  • Glycinamide, N-(2,2-diphenylethyl)glycyl-N-(1,3-benzodioxol-5-ylmethyl)glycyl-N2-(2-(4-hydroxyphenyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 158198-48-2

System Generated Number

  • 0158198482

Structure Descriptors

InChI

1S/C36H38N4O6/c37-20-31(42)35(36(44)40(34(43)21-38)23-30(27-7-3-1-4-8-27)28-9-5-2-6-10-28)39(18-17-25-11-14-29(41)15-12-25)22-26-13-16-32-33(19-26)46-24-45-32/h1-16,19,30,35,41H,17-18,20-24,37-38H2/t35-/m0/s1

InChIKey

GANLUHRILMMVRH-DHUJRADRSA-N

Smiles

C([C@@H]([N@@](CCc1ccc(cc1)O)Cc1cc2OCOc2cc1)C(CN)=O)(=O)N(CC(c1ccccc1)c1ccccc1)C(CN)=O