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Substance Name: L-Prolinamide, N-((1-(carboxymethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate (2:3)
RN: 128056-14-4
InChIKey: RZUZWAHHAMOBFU-SRVKXCTJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N7-O7.3/2H2-O

Molecular Weight

  • 449.4217
 
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Names and Synonyms

  • L-Prolinamide, N-((1-(carboxymethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate (2:3)

Registry Numbers

CAS Registry Number

  • 128056-14-4

System Generated Number

  • 0128056144

Molecular Formulas

Molecular Formula

  • C18-H23-N7-O7.3/2H2-O

Molecular Formula Fragments

  • C18-H23-N7-O7
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H23N7O7/c19-15(29)12-2-1-3-24(12)17(31)11(4-9-6-20-8-21-9)22-16(30)10-5-13(26)25(7-14(27)28)18(32)23-10/h6,8,10-12H,1-5,7H2,(H2,19,29)(H,20,21)(H,22,30)(H,23,32)(H,27,28)/t10-,11-,12-/m0/s1

InChIKey

RZUZWAHHAMOBFU-SRVKXCTJSA-N

Smiles

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

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.