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Substance Name: L-Aspartic acid, N-(3-carboxy-1-oxo-2-propen-1-yl)-N-octadecyl-, sodium salt (1:3)
RN: 61894-02-8
InChIKey: LPSATXJMGWLRTJ-NNUMAELLSA-K

Molecular Formula

  • C26-H45-N-O7.3Na

Molecular Weight

  • 549.588
 
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Names and Synonyms

Synonyms

  • EINECS 263-306-5
  • N-(3-Carboxy-2-propenoyl)-N-octadecyl-aspartic acid, trisodium salt
  • Trisodium N-3-carboxy-2-propenoyl-N-stearyl-L-aspartate

Systematic Names

  • L-Aspartic acid, N-(3-carboxy-1-oxo-2-propen-1-yl)-N-octadecyl-, sodium salt (1:3)
  • L-Aspartic acid, N-(3-carboxy-1-oxo-2-propenyl)-N-octadecyl-, trisodium salt
  • Trisodium N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate

Registry Numbers

CAS Registry Number

  • 61894-02-8

System Generated Number

  • 0061894028

Molecular Formulas

Molecular Formula

  • C26-H45-N-O7.3Na

Molecular Formula Fragments

  • C26-H45-N-O7
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H45NO7.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(23(28)18-19-24(29)30)22(26(33)34)21-25(31)32;;;/h18-19,22H,2-17,20-21H2,1H3,(H,29,30)(H,31,32)(H,33,34);;;/q;3*+1/p-3/t22-;;;/m0.../s1

InChIKey

LPSATXJMGWLRTJ-NNUMAELLSA-K

Smiles

C(CCCCCCCCCCCCCCCCC)N([C@@H](CC([O-])=O)C(=O)[O-])C(=O)\C=C/C([O-])=O.[Na+].[Na+].[Na+]