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Substance Name: N-Acetylglucosamine-N-acetylmuramyl-alanyl-isoglutaminyl-alanyl-glycerol dipalmitoyl
RN: 130114-83-9
UNII: 6PHSP9EORV
InChIKey: IDKXCZLQTHWOAT-KMANSXJTSA-N

Note

  • A disaccharide tripeptide glycerol dipalmitoyl immunomodulator.

Molecular Formulas

  • C65-H116-N6-O21
  • C65-H116-N6-O22

Molecular Weight

  • 1317.6524
 
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Names and Synonyms

Name of Substance

  • N-Acetylglucosamine-N-acetylmuramyl-alanyl-isoglutaminyl-alanyl-glycerol dipalmitoyl

Synonyms

  • Dtp-gdp
  • UNII-6PHSP9EORV

Systematic Name

  • L-Alanine, N-(N2-(N-(N-acetyl-4-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)muramoyl)-L-alanyl)-D-alpha-glutaminyl)-, 2,3-bis((1-oxohexadecyl)oxy)propyl ester, (R)-

Registry Numbers

CAS Registry Number

  • 130114-83-9

FDA UNII

  • 6PHSP9EORV

System Generated Number

  • 0130114839

Structure Descriptors

InChI

1S/C65H116N6O21/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-52(77)86-40-47(89-53(78)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)41-87-63(84)43(4)68-62(83)48(36-37-51(66)76)71-60(81)42(3)67-61(82)44(5)88-59-55(70-46(7)75)64(85)90-50(39-73)58(59)92-65-54(69-45(6)74)57(80)56(79)49(38-72)91-65/h42-44,47-50,54-59,64-65,72-73,79-80,85H,8-41H2,1-7H3,(H2,66,76)(H,67,82)(H,68,83)(H,69,74)(H,70,75)(H,71,81)/t42-,43-,44?,47?,48+,49+,50+,54+,55+,56+,57+,58+,59+,64-,65-/m0/s1

InChIKey

IDKXCZLQTHWOAT-KMANSXJTSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)C(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C)OC(=O)CCCCCCCCCCCCCCC