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Substance Name: GYKI-14451
RN: 83861-29-4
InChIKey: KMQNMDPAZPATRK-DCBJEQAZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C50-H76-N12-O10.H2-O4-S

Molecular Weight

  • 1103.3022
 
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Names and Synonyms

Results Name

  • GYKI-14451

Synonym

  • GYKI-14451

Systematic Name

  • L-Prolinamide, N-((1,1-dimethylethoxy)carbonyl)-D-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-, (S)-, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 83861-29-4

System Generated Number

  • 0083861294

Molecular Formulas

Molecular Formula

  • C50-H76-N12-O10.H2-O4-S

Molecular Formula Fragments

  • C50-H76-N12-O10
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C25H38N6O5.H2O4S/c2*1-25(2,3)36-24(35)29-19(15-17-9-5-4-6-10-17)21(33)30-22(34)20-12-8-14-31(20)18(16-32)11-7-13-28-23(26)27;1-5(2,3)4/h2*4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,35)(H4,26,27,28)(H,30,33,34);(H2,1,2,3,4)/t2*18-,19+,20-;/m00./s1

InChIKey

KMQNMDPAZPATRK-DCBJEQAZSA-N

Smiles

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]2CCCN2[C@@H](CCCNC(=N)N)C=O.CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]2CCCN2[C@@H](CCCNC(=N)N)C=O.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   Drugs of the Future. Vol. 10, Pg. 23, 1985.