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Substance Name: L-Alaninamide, glycyl-N-(2-(acetylthio)ethyl)-, mono(trifluoroacetate)
RN: 117370-18-0
InChIKey: UHMSFIISXZOAME-RGMNGODLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H17-N3-O3-S.C2-H-F3-O2

Molecular Weight

  • 361.3392
 
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Names and Synonyms

Synonyms

  • Glycyl-N-(2-(acetylthio)ethyl)-L-alaninamide mono(trifluoroacetate)
  • RTECS AY1624000

Systematic Name

  • L-Alaninamide, glycyl-N-(2-(acetylthio)ethyl)-, mono(trifluoroacetate)

Registry Numbers

CAS Registry Number

  • 117370-18-0

System Generated Number

  • 0117370180

Molecular Formulas

Molecular Formula

  • C9-H17-N3-O3-S.C2-H-F3-O2

Molecular Formula Fragments

  • C2-H-F3-O2
  • C9-H17-N3-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C9H17N3O3S.C2HF3O2/c1-6(9(15)12-8(14)5-10)11-3-4-16-7(2)13;3-2(4,5)1(6)7/h6,11H,3-5,10H2,1-2H3,(H,12,14,15);(H,6,7)/t6-;/m0./s1

InChIKey

UHMSFIISXZOAME-RGMNGODLSA-N

Smiles

C[C@@H](C(=O)NC(=O)CN)NCCSC(=O)C.C(=O)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500mg/kg (1500mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 297, 1989.