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Substance Name: Sulfonium, dimethyl(4-((1R)-1-((1-oxotetradecyl)amino)-2-phenylethoxy)phenyl)-, methyl sulfate
RN: 272123-05-4
InChIKey: XBQUESXNXBJAEK-VNUFCWELSA-N

Molecular Formula

  • C30-H46-N-O2-S.C-H3-O4-S

Molecular Weight

  • 595.8611
 
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Names and Synonyms

Synonym

  • Myristoyl-D-phenylalanine-4-hydroxyphenyl-dimethylsulfonium methyl sulfate

Systematic Name

  • Sulfonium, dimethyl(4-((1R)-1-((1-oxotetradecyl)amino)-2-phenylethoxy)phenyl)-, methyl sulfate

Registry Numbers

CAS Registry Number

  • 272123-05-4

System Generated Number

  • 0272123054

Molecular Formulas

Molecular Formula

  • C30-H46-N-O2-S.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C30-H46-N-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C30H45NO2S.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-17-20-29(32)31-30(25-26-18-15-14-16-19-26)33-27-21-23-28(24-22-27)34(2)3;1-5-6(2,3)4/h14-16,18-19,21-24,30H,4-13,17,20,25H2,1-3H3;1H3,(H,2,3,4)/t30-;/m1./s1

InChIKey

XBQUESXNXBJAEK-VNUFCWELSA-N

Smiles

CCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)Oc2ccc(cc2)[S+](C)C.COS(=O)(=O)[O-]