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Substance Name: J-104871
RN: 191088-19-4
UNII: 6137X5QNJF
InChIKey: CXDSZFRIMJUZKT-MRGWGSTCSA-N

Molecular Formula

  • C38-H32-N2-O12

Molecular Weight

  • 708.6728
 
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Names and Synonyms

Name of Substance

  • J-104871

Synonyms

  • 1,3-Dioxolane-2,2,4-tricarboxylic acid, 5-((((1R,2R,4E)-2-(1,3-benzodioxol-5-yl)-5-(2-benzoxazolyl)-1-methyl-4-penten-1-yl)(2-naphthalenylmethyl)amino)carbonyl)-, (4R,5S)-
  • 1,3-Dioxolane-2,2,4-tricarboxylic acid, 5-((((1R,2R,4E)-2-(1,3-benzodioxol-5-yl)-5-(2-benzoxazolyl)-1-methyl-4-pentenyl)(2-naphthalenylmethyl)amino)carbonyl)-, (4R,5S)-
  • 1,3-Dioxolane-2,2,4-tricarboxylic acid, 5-(((2-(1,3-benzodioxol-5-yl)-5-(2-benzoxazolyl)-1-methyl-4-pentenyl)(2-naphthalenylmethyl)amino)carbonyl)-, (4R-(4alpha,5alpha(1R*,2R*,4E)))-
  • J-104135
  • J-104871
  • UNII-6137X5QNJF

Registry Numbers

CAS Registry Number

  • 191088-19-4

FDA UNII

  • 6137X5QNJF

System Generated Number

  • 0191088194

Structure Descriptors

InChI

1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/b12-6+/t21-,26+,32+,33-/m1/s1

InChIKey

CXDSZFRIMJUZKT-MRGWGSTCSA-N

Smiles

C[C@H]([C@H](C/C=C/c1nc2ccccc2o1)c3ccc4c(c3)OCO4)N(Cc5ccc6ccccc6c5)C(=O)[C@@H]7[C@@H](OC(O7)(C(=O)O)C(=O)O)C(=O)O