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Substance Name: Phenylalanyl-prolyl-arginine nitrile
RN: 111009-86-0
InChIKey: KIJDUGBFUBCRNM-BBWFWOEESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-N7-O2

Molecular Weight

  • 399.496
 
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Names and Synonyms

Name of Substance

  • Phenylalanyl-prolyl-arginine nitrile

Synonyms

  • (S)-N-(4-((Aminoiminomethyl)amino)-1-cyanobutyl)-D-phenylalanyl-L-prolinamide
  • D-Phenylalanyl-L-prolyl-L-arginine nitrile

Systematic Names

  • L-Prolinamide, D-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-cyanobutyl)-, (S)-
  • L-Prolinamide, N-(4-((aminoiminomethyl)amino)-1-cyanobutyl)-D-phenylalanyl-, (S)-

Registry Numbers

CAS Registry Number

  • 111009-86-0

System Generated Number

  • 0111009860

Structure Descriptors

InChI

1S/C20H29N7O2/c21-13-15(8-4-10-25-20(23)24)27-11-5-9-17(27)19(29)26-18(28)16(22)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-12,22H2,(H4,23,24,25)(H,26,28,29)/t15-,16+,17-/m0/s1

InChIKey

KIJDUGBFUBCRNM-BBWFWOEESA-N

Smiles

C([C@H]1[N@@](CCC1)[C@@H](CCCNC(=N)N)C#N)(=O)NC([C@H](N)Cc1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 30mg/kg (30mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Pharmazie. Vol. 46, Pg. 131, 1991.