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Substance Name: L-Prolinamide, N-((hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate
RN: 59760-05-3
InChIKey: WFINBZNSRRTHQC-DCAQKATOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N7-O5.2H-O

Molecular Weight

  • 391.3859
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 59760-05-3

System Generated Number

  • 0059760053

Molecular Formulas

Molecular Formula

  • C16-H21-N7-O5.2H-O

Molecular Formula Fragments

  • C16-H21-N7-O5
  • COMPONENT
  • H-O

Structure Descriptors

InChI

1S/C16H21N7O5/c17-13(25)11-2-1-3-23(11)15(27)10(4-8-6-18-7-19-8)20-14(26)9-5-12(24)22-16(28)21-9/h6-7,9-11H,1-5H2,(H2,17,25)(H,18,19)(H,20,26)(H2,21,22,24,28)/t9-,10-,11-/m0/s1

InChIKey

WFINBZNSRRTHQC-DCAQKATOSA-N

Smiles

c1c(nc[nH]1)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N)NC(=O)[C@@H]3CC(=O)NC(=O)N3

Toxicity

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