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Substance Name: Cgp 31362
RN: 93909-73-0
InChIKey: KMXBCAPLZGEGBW-APLTXDPFSA-M

Note

  • A synthetic analog of a lipoprotein fragment from the outer wall of gram negative bacteria.

Molecular Formula

  • C58-H108-N6-O13-S2.Na

Molecular Weight

  • 1183.6343
 
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Names and Synonyms

Name of Substance

  • Cgp 31362

Synonyms

  • Cgp-31362
  • N-Hexadecanoyl-S-(2,3-didodecanoyloxypropyl)-cysteinyl-alanyl-isoglutaminyl-glycyl-taurine

Systematic Name

  • Glycinamide, S-(2,3-(bis(1-oxododecyl)oxy)propyl)-N-(1-oxohexadecyl)-L-cysteinyl-L-alanyl-D-alpha-glutaminyl-N-(2-sulfoethyl)-, monosodium slat, (R)-

Registry Numbers

CAS Registry Number

  • 93909-73-0

System Generated Number

  • 0093909730

Molecular Formulas

Molecular Formula

  • C58-H108-N6-O13-S2.Na

Molecular Formula Fragments

  • C58-H108-N6-O13-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C58H108N6O13S2.Na/c1-5-8-11-14-17-20-21-22-23-26-27-30-33-36-52(66)62-50(58(72)61-47(4)56(70)63-49(39-40-51(59)65)57(71)64-53(67)43-60-41-42-79(73,74)75)46-78-45-48(77-55(69)38-35-32-29-25-19-16-13-10-7-3)44-76-54(68)37-34-31-28-24-18-15-12-9-6-2;/h47-50,60H,5-46H2,1-4H3,(H2,59,65)(H,61,72)(H,62,66)(H,63,70)(H,64,67,71)(H,73,74,75);/q;+1/p-1/t47-,48+,49+,50-;/m0./s1

InChIKey

KMXBCAPLZGEGBW-APLTXDPFSA-M

Smiles

CCCCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N)C(=O)NC(=O)CNCCS(=O)(=O)[O-].[Na+]