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Substance Name: Elastatinal
RN: 51798-45-9
UNII: LX4Y75DOA7
InChIKey: IJWCGVPEDDQUDE-YGJAXBLXSA-N

Note

  • Elastase inhibitor found in culture filtrates of various species of actinomyces.

Classification Codes

  • Drug / Therapeutic Agent
  • Enzyme Inhibitors

Molecular Formula

  • C21-H36-N8-O7

Molecular Weight

  • 512.564
 
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Names and Synonyms

Name of Substance

  • Elastatinal

Synonyms

  • BRN 0873543
  • EINECS 257-426-7
  • Elastatinal
  • UNII-LX4Y75DOA7

Systematic Names

  • L-2-(2-Amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-(((1-carboxy-3-methylbutyl)amino)carbonyl)glycyl-N1-(1-methyl-2-oxoethyl)-L-glutamamide, stereoisomer
  • L-Glutamamide, L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl-N-(((1-carboxy-3-methylbutyl)amino)carbonyl)glycyl-N(sup 1)-(1-methyl-2-oxoethyl)-, stereoisomer

Registry Numbers

CAS Registry Number

  • 51798-45-9

FDA UNII

  • LX4Y75DOA7

System Generated Number

  • 0051798459

Structure Descriptors

InChI

1S/C21H36N8O7/c1-10(2)8-14(19(34)35)28-21(36)29-16(12-6-7-24-20(23)27-12)18(33)26-13(4-5-15(22)31)17(32)25-11(3)9-30/h9-14,16H,4-8H2,1-3H3,(H2,22,31)(H,25,32)(H,26,33)(H,34,35)(H3,23,24,27)(H2,28,29,36)/t11-,12-,13-,14-,16-/m0/s1

InChIKey

IJWCGVPEDDQUDE-YGJAXBLXSA-N

Smiles

C([C@H]([C@H]1N=C(N)NCC1)NC(N[C@@H](CC(C)C)C(=O)O)=O)(N[C@H](C(N[C@H](C=O)C)=O)CCC(N)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 250mg/kg (250mg/kg)   Proceedings of the International Symposium of the Princess Takamatsu Cancer Research Fund. Vol. 6, Pg. 57, 1976.