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Substance Name: Alanine, N-acetyl-3-(((2-((cyclohexylmethylamino)methyl)-4,6-dibromocarbaniloyl)methyl)thio)-, isopropyl ester
RN: 97290-50-1
InChIKey: UDIBXERBKGDNAH-NRFANRHFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H35-Br2-N3-O4-S

Molecular Weight

  • 621.4315
 
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Names and Synonyms

  • Alanine, N-acetyl-3-(((2-((cyclohexylmethylamino)methyl)-4,6-dibromocarbaniloyl)methyl)thio)-, isopropyl ester

Registry Numbers

CAS Registry Number

  • 97290-50-1

System Generated Number

  • 0097290501

Structure Descriptors

InChI

1S/C24H35Br2N3O4S/c1-15(2)33-24(32)21(27-16(3)30)13-34-14-22(31)28-23-17(10-18(25)11-20(23)26)12-29(4)19-8-6-5-7-9-19/h10-11,15,19,21H,5-9,12-14H2,1-4H3,(H,27,30)(H,28,31)/t21-/m0/s1

InChIKey

UDIBXERBKGDNAH-NRFANRHFSA-N

Smiles

c1(c(c(cc(c1)Br)Br)NC(=O)CSC[C@@H](C(=O)OC(C)C)NC(=O)C)CN(C1CCCCC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 423mg/kg (423mg/kg)   Farmaco, Edizione Scientifica. Vol. 40, Pg. 108, 1985.