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Substance Name: 2-(((4-(Phenylazo)phenyl)methyl)sulphonyl)ethyl S-(acetamidomethyl)-N-(N-L-threonyl-L-seryl)-L-cysteinate, mono(perfluoroacetate)
RN: 76408-62-3
InChIKey: ILQRRZQINOCVGG-BJTISQMGSA-N

Molecular Formula

  • C28-H38-N6-O9-S2.C2-H-F3-O2

Molecular Weight

  • 762.7803
 
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Names and Synonyms

Synonym

  • EINECS 278-443-6

Systematic Name

  • 2-(((4-(Phenylazo)phenyl)methyl)sulphonyl)ethyl S-(acetamidomethyl)-N-(N-L-threonyl-L-seryl)-L-cysteinate, mono(perfluoroacetate)

Registry Numbers

CAS Registry Number

  • 76408-62-3

System Generated Number

  • 0076408623

Molecular Formulas

Molecular Formula

  • C28-H38-N6-O9-S2.C2-H-F3-O2

Molecular Formula Fragments

  • C2-H-F3-O2
  • C28-H38-N6-O9-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C30H37F3N6O10S2/c1-18(40)25(34)27(43)36-23(26(42)37-24(15-50-17-35-19(2)41)28(44)48-49-29(45)30(31,32)33)9-6-14-51(46,47)16-20-10-12-22(13-11-20)39-38-21-7-4-3-5-8-21/h3-5,7-8,10-13,18,23-25,40H,6,9,14-17,34H2,1-2H3,(H,35,41)(H,36,43)(H,37,42)/b39-38+/t18-,23+,24+,25+/m1/s1

InChIKey

ILQRRZQINOCVGG-BJTISQMGSA-N

Smiles

C[C@H]([C@@H](C(=O)N[C@@H](CCCS(=O)(=O)Cc1ccc(cc1)/N=N/c2ccccc2)C(=O)N[C@@H](CSCNC(=O)C)C(=O)OOC(=O)C(F)(F)F)N)O