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Substance Name: APC-3316 tosylate
RN: 502960-91-0
UNII: 2CJ65RBP10
InChIKey: ASUKMBNQFXCWPX-WJFVNNBYSA-N

Molecular Formula

  • C32-H38-N4-O4-S.C7-H8-O3-S

Molecular Weight

  • 746.9454
 
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Names and Synonyms

Name of Substance

  • APC-3316 tosylate

Synonyms

  • 1-Piperazinecarboxamide, 4-methyl-N-((1S)-2-oxo-2-(((1S,2E)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propen-1-yl)amino)-1-(phenylmethyl)ethyl)-, 4-methylbenzenesulfonate (1:1)
  • 1-Piperazinecarboxamide, 4-methyl-N-((1S)-2-oxo-2-(((1S,2E)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propenyl)amino)-1-(phenylmethyl)ethyl)-, MONO(4-methylbenzenesulfonate)
  • APC-3316 tosylate
  • UNII-2CJ65RBP10

Registry Numbers

CAS Registry Number

  • 502960-91-0

FDA UNII

  • 2CJ65RBP10

System Generated Number

  • 0502960910

Structure Descriptors

InChI

1S/C32H38N4O4S.C7H8O3S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29;1-6-2-4-7(5-3-6)11(8,9)10/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38);2-5H,1H3,(H,8,9,10)/b24-19+;/t28-,30-;/m0./s1

InChIKey

ASUKMBNQFXCWPX-WJFVNNBYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)O.CN1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)/C=C/S(=O)(=O)c4ccccc4