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Substance Name: Butanoic acid, 4,4,4-trifluoro-3-((8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)amino)-
RN: 174740-54-6
InChIKey: GDZAAPYVVVEPIN-OMBAZUQDSA-N

Molecular Formula

  • C42-H67-F3-N2-O5

Molecular Weight

  • 736.9943
 
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Names and Synonyms

Synonym

  • (3R,S)-N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-3-amino-4,4,4-trifluorobutyric acid

Systematic Name

  • Butanoic acid, 4,4,4-trifluoro-3-((8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)amino)-

Registry Numbers

CAS Registry Number

  • 174740-54-6

System Generated Number

  • 0174740546

Structure Descriptors

InChI

1S/C42H67F3N2O5/c1-26(2)27-16-21-41(36(52)46-24-12-10-8-9-11-13-33(49)47-31(25-34(50)51)42(43,44)45)23-22-39(6)28(35(27)41)14-15-30-38(5)19-18-32(48)37(3,4)29(38)17-20-40(30,39)7/h27-32,35,48H,1,8-25H2,2-7H3,(H,46,52)(H,47,49)(H,50,51)/t27-,28+,29-,30+,31?,32-,35+,38-,39+,40+,41-/m0/s1

InChIKey

GDZAAPYVVVEPIN-OMBAZUQDSA-N

Smiles

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)NCCCCCCCC(=O)NC(CC(=O)O)C(F)(F)F