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Substance Name: TI-189
RN: 77787-46-3
InChIKey: LEHVOVFBWKETSG-NRFANRHFSA-N

Molecular Formula

  • C24-H36-N6-O3-S

Molecular Weight

  • 488.653
 
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Names and Synonyms

Name of Substance

  • TI-189

Synonyms

  • 4-Methyl-1-(N(2)-(5,6-dimethylaminonaphthalene)-1-sulfonyl-L-arginyl)piperidine
  • 4-Methyl-1-(N(2)-(5-dimethylaminonaphthalene)-1-sulfonyl-L-arginyl)piperidine
  • TI 189

Systematic Name

  • Piperidine, 1-(5-((aminoiminomethyl)amino)-2-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-4-methyl-, (S)-

Registry Numbers

CAS Registry Number

  • 77787-46-3

System Generated Number

  • 0077787463

Structure Descriptors

InChI

1S/C24H36N6O3S/c1-18-12-15-30(16-13-18)24(31)21(9-6-14-26-17-27-25)28-34(32,33)23-11-5-7-19-20(23)8-4-10-22(19)29(2)3/h4-5,7-8,10-11,17-18,21,28H,6,9,12-16,25H2,1-3H3,(H,26,27)/t21-/m0/s1

InChIKey

LEHVOVFBWKETSG-NRFANRHFSA-N

Smiles

N1(CCC(CC1)C)C([C@H](CCCN\C=N/N)NS(=O)(=O)c1c2c(c(ccc2)N(C)C)ccc1)=O