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Substance Name: L-Prolinamide, N-((hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-, hydrate
RN: 128083-59-0
InChIKey: YLWYFUSTRGCWQL-JYJNAYRXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H31-N7-O5.H2-O

Molecular Weight

  • 461.5199
 
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Names and Synonyms

Synonym

  • N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate

Systematic Name

  • L-Prolinamide, N-((hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-, hydrate

Registry Numbers

CAS Registry Number

  • 128083-59-0

System Generated Number

  • 0128083590

Molecular Formulas

Molecular Formula

  • C21-H31-N7-O5.H2-O

Molecular Formula Fragments

  • C21-H31-N7-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H31N7O5/c1-2-3-4-7-28-17(29)10-14(26-21(28)33)19(31)25-15(9-13-11-23-12-24-13)20(32)27-8-5-6-16(27)18(22)30/h11-12,14-16H,2-10H2,1H3,(H2,22,30)(H,23,24)(H,25,31)(H,26,33)/t14-,15-,16-/m0/s1

InChIKey

YLWYFUSTRGCWQL-JYJNAYRXSA-N

Smiles

CCCCCN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N3CCC[C@H]3C(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 2130, 1990.