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Substance Name: L-Prolinamide, N-((hexahydro-2,6-dioxo-1-(phenylmethyl)-4-pyrimidinyl)carbonyl)-L-histidyl-, hydrate
RN: 128056-07-5
InChIKey: XETGBDDYJYNADH-BZSNNMDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N7-O5.H2-O

Molecular Weight

  • 481.5103
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 128056-07-5

System Generated Number

  • 0128056075

Molecular Formulas

Molecular Formula

  • C23-H27-N7-O5.H2-O

Molecular Formula Fragments

  • C23-H27-N7-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H27N7O5/c24-20(32)18-7-4-8-29(18)22(34)17(9-15-11-25-13-26-15)27-21(33)16-10-19(31)30(23(35)28-16)12-14-5-2-1-3-6-14/h1-3,5-6,11,13,16-18H,4,7-10,12H2,(H2,24,32)(H,25,26)(H,27,33)(H,28,35)/t16-,17-,18-/m0/s1

InChIKey

XETGBDDYJYNADH-BZSNNMDCSA-N

Smiles

c1ccc(cc1)CN2C(=O)C[C@H](NC2=O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N4CCC[C@H]4C(=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.