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Substance Name: 2,2'-O-(2,2'-Diacetamido-2,3,2',3'-tetradeoxy-6,6'-di-O-(2-tetradecylhexadecanoyl)-alpha,alpha'-trehalose-3,3'-diyl)bis(N-lactoyl-alanyl-isoglutamine)
RN: 127896-98-4
InChIKey: FDWYQFOEFAGPTJ-UHFFFAOYSA-N

Molecular Formula

  • C98-H178-N8-O23

Molecular Weight

  • 1836.5172
 
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Names and Synonyms

Name of Substance

  • 2,2'-O-(2,2'-Diacetamido-2,3,2',3'-tetradeoxy-6,6'-di-O-(2-tetradecylhexadecanoyl)-alpha,alpha'-trehalose-3,3'-diyl)bis(N-lactoyl-alanyl-isoglutamine)

Synonym

  • Dttdt-mdp

Systematic Name

  • D-alpha-Glutamine, N2-(N-(N-acetyl-1-O-(N2-acetyl-N8-(2-((1-(aminocarbonyl)-3-carboxypropyl)amino)-1-methyl-2-oxoethyl)-6-O-(1-oxo-2-tetradecylhexadecyl)-alpha-muramamidosyl)-6-O-(1-oxo-2-tetradecylhexadecyl)-alpha-muramoyl)-L-alanyl)-

Registry Numbers

CAS Registry Number

  • 127896-98-4

System Generated Number

  • 0127896984

Structure Descriptors

InChI

1S/C98H178N8O23/c1-11-15-19-23-27-31-35-39-43-47-51-55-59-75(60-56-52-48-44-40-36-32-28-24-20-16-12-2)95(121)123-67-79-85(113)87(125-71(7)93(119)101-69(5)91(117)105-77(89(99)115)63-65-81(109)110)83(103-73(9)107)97(127-79)129-98-84(104-74(10)108)88(126-72(8)94(120)102-70(6)92(118)106-78(90(100)116)64-66-82(111)112)86(114)80(128-98)68-124-96(122)76(61-57-53-49-45-41-37-33-29-25-21-17-13-3)62-58-54-50-46-42-38-34-30-26-22-18-14-4/h69-72,75-80,83-88,97-98,113-114H,11-68H2,1-10H3,(H2,99,115)(H2,100,116)(H,101,119)(H,102,120)(H,103,107)(H,104,108)(H,105,117)(H,106,118)(H,109,110)(H,111,112)

InChIKey

FDWYQFOEFAGPTJ-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)COC(=O)C(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)O)OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C)NC(=O)C)OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N)O