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Substance Name: Cgp 38560
RN: 122088-76-0
InChIKey: XXPFSPNMUAZMMO-CRNPUGFUSA-N

Molecular Formula

  • C38-H60-N6-O6-S.C-H4-O3-S

Molecular Weight

  • 825.1
 
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Names and Synonyms

Name of Substance

  • CGP 38560

Synonyms

  • Cgp 38560A
  • Cgp-38560
  • N-(2-Benzyl-3-tert-butylsulfonylpropionyl)-his-cha-val-n-butylamide

Systematic Name

  • L-Valinamide, N-(2-(((1,1-dimethylethyl)sulfonyl)methyl)-1-oxo-3-phenylpropyl)-L-histidyl-3-cyclohexyl-L-alanyl-N-butyl-, (R)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 122088-76-0

System Generated Number

  • 0122088760

Molecular Formulas

Molecular Formula

  • C38-H60-N6-O6-S.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C38-H60-N6-O6-S
  • COMPONENT

Structure Descriptors

InChI

1S/C38H60N6O6S.CH4O3S/c1-7-8-19-41-33(26(2)3)37(48)44(35(46)31(39)21-28-17-13-10-14-18-28)36(47)32(22-30-23-40-25-42-30)43-34(45)29(20-27-15-11-9-12-16-27)24-51(49,50)38(4,5)6;1-5(2,3)4/h9,11-12,15-16,23,25-26,28-29,31-33,41H,7-8,10,13-14,17-22,24,39H2,1-6H3,(H,40,42)(H,43,45);1H3,(H,2,3,4)/t29-,31-,32-,33-;/m0./s1

InChIKey

XXPFSPNMUAZMMO-CRNPUGFUSA-N

Smiles

CS(=O)(O)=O.C([C@@H](NCCCC)C(C)C)(=O)N(C([C@@H](N)CC1CCCCC1)=O)C([C@@H](NC([C@@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C)=O)Cc1c[nH]cn1)=O