L-Alaninamide, N-(N-acetylmuramoyl)-L-alanyl-D-α-glutaminyl-N-[(7R)-4-hydroxy-4-oxido-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacos-1-yl]-, sodium salt (1:1)

CAS Registry Number®

90825-43-7
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CAS Name

L-Alaninamide, N-(N-acetylmuramoyl)-L-alanyl-D-α-glutaminyl-N-[(7R)-4-hydroxy-4-oxido-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacos-1-yl]-, sodium salt (1:1)

Molecular Formula

C59H109N6O19P.Na

Cite this Page

L-Alaninamide, N-(N-acetylmuramoyl)-L-alanyl-D-α-glutaminyl-N-[(7R)-4-hydroxy-4-oxido-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacos-1-yl]-, sodium salt (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=90825-43-7 (retrieved 2024-09-19) (CAS RN: 90825-43-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C59H109N6O19P.Na/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-52(71)80-41-47(84-53(72)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)42-82-85(78,79)81-38-37-61-57(75)43(3)62-51(70)36-35-48(56(60)74)65-58(76)44(4)63-59(77)45(5)83-55(54(73)50(69)40-67)49(39-66)64-46(6)68;/h39,43-45,47-50,54-55,67,69,73H,7-38,40-42H2,1-6H3,(H2,60,74)(H,61,75)(H,62,70)(H,63,77)(H,64,68)(H,65,76)(H,78,79);/t43-,44-,45+,47+,48+,49-,50+,54+,55+;/m0./s1

InChIKey

InChIKey=DATHREMRBCGNHW-XNLRRNFISA-N

SMILES

[C@H]([C@@H](NC(C)=O)C=O)(O[C@@H](C(N[C@H](C(N[C@H](CCC(N[C@H](C(NCCOP(OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(=O)O)=O)C)=O)C(N)=O)=O)C)=O)C)[C@@H]([C@@H](CO)O)O.[Na]

Canonical SMILES

[Na].O=CC(NC(=O)C)C(OC(C(=O)NC(C(=O)NC(C(=O)N)CCC(=O)NC(C(=O)NCCOP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)C)C)C)C(O)C(O)CO

Other Names for this Substance

  • L-Alaninamide, N-(N-acetylmuramoyl)-L-alanyl-D-α-glutaminyl-N-[(7R)-4-hydroxy-4-oxido-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacos-1-yl]-, sodium salt (1:1)
  • L-Alaninamide, N-(N-acetylmuramoyl)-L-alanyl-D-α-glutaminyl-N-[4-hydroxy-4-oxido-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacos-1-yl]-, monosodium salt, (R)-
  • L-Alaninamide, N-(N-acetylmuramoyl)-L-alanyl-D-α-glutaminyl-N-[(7R)-4-hydroxy-4-oxido-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacos-1-yl]-, monosodium salt
  • CGP 19835A
  • Mepact

View All

Deleted or Replaced CAS Registry Numbers

83541-33-7, 84277-95-2, 90297-67-9, 105661-39-0