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Substance Name: JB-95008 free acid
RN: 174610-98-1
UNII: GY9KW03PRM
InChIKey: CUVGKDWFTDAHSS-LJAQVGFWSA-N

Molecular Formula

  • C34-H34-F-N5-O7

Molecular Weight

  • 643.6686
 
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Names and Synonyms

Name of Substance

  • JB-95008 free acid

Synonym

  • UNII-GY9KW03PRM

Registry Numbers

CAS Registry Number

  • 174610-98-1

FDA UNII

  • GY9KW03PRM

System Generated Number

  • 0174610981

Structure Descriptors

InChI

1S/C34H34FN5O7/c35-26-10-6-5-9-20(26)14-29(32(43)39-23-12-21(33(44)45)11-22(13-23)34(46)47)40-31(42)25-16-28-27(37-18-38-28)15-24(25)30(41)36-17-19-7-3-1-2-4-8-19/h5-6,9-13,15-16,18-19,29H,1-4,7-8,14,17H2,(H,36,41)(H,37,38)(H,39,43)(H,40,42)(H,44,45)(H,46,47)/t29-/m0/s1

InChIKey

CUVGKDWFTDAHSS-LJAQVGFWSA-N

Smiles

c1ccc(c(c1)C[C@@H](C(=O)Nc2cc(cc(c2)C(=O)O)C(=O)O)NC(=O)c3cc4c(cc3C(=O)NCC5CCCCCC5)[nH]cn4)F