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Substance Name: PE 104
RN: 57039-16-4
InChIKey: KGTCPALFAMCJQQ-UHFFFAOYSA-N

Note

  • Renin antagonist.

Molecular Weight

  • 444.806
 
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Names and Synonyms

Name of Substance

  • PE 104

Synonyms

  • 2-(4-(4'-Chlorophenoxy)phenoxyacetylamino)ethylphosphorylethanolamine
  • PE-104

Systematic Name

  • Phosphoric acid, mono(2-aminoethyl) mono(2-(4-(4-(chlorophenoxy)acetyl)amino)ethyl) ester

Registry Numbers

CAS Registry Number

  • 57039-16-4

System Generated Number

  • 0057039164

Structure Descriptors

InChI

1S/C18H22ClN2O7P/c19-14-1-3-16(4-2-14)28-17-7-5-15(6-8-17)25-13-18(22)21-10-12-27-29(23,24)26-11-9-20/h1-8H,9-13,20H2,(H,21,22)(H,23,24)

InChIKey

KGTCPALFAMCJQQ-UHFFFAOYSA-N

Smiles

O=[P@@](OCCNC(=O)COc1ccc(cc1)Oc1ccc(cc1)Cl)(OCCN)O