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Substance Name: beta-D-Allofuranuronic acid, 5-((2-amino-1-oxohexadecyl)amino)-1,5-dideoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, (S)-
RN: 112139-25-0
InChIKey: ZTWVGRSFXPTBAM-CKJUUTNVSA-N

Molecular Formula

  • C26-H44-N4-O8

Molecular Weight

  • 540.6536
 
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Names and Synonyms

  • beta-D-Allofuranuronic acid, 5-((2-amino-1-oxohexadecyl)amino)-1,5-dideoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, (S)-

Registry Numbers

CAS Registry Number

  • 112139-25-0

System Generated Number

  • 0112139250

Structure Descriptors

InChI

InChI=1S/C26H44N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(27)23(34)29-19(25(35)36)22-20(32)21(33)24(38-22)30-16-15-18(31)28-26(30)37/h15-17,19-22,24,32-33H,2-14,27H2,1H3,(H,29,34)(H,35,36)(H,28,31,37)/t17-,19-,20-,21+,22?,24+/m0/s1

InChIKey

ZTWVGRSFXPTBAM-CKJUUTNVSA-N

Smiles

CCCCCCCCCCCCCC[C@H](N)C(=O)N[C@@H](C1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O)C(=O)O