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Substance Name: Propanoic acid, 3-fluoro-3-((8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)amino)-
RN: 174740-53-5
InChIKey: ONZMOOVHAUZXCM-NSGQPJGBSA-N

Molecular Formula

  • C41-H67-F-N2-O5

Molecular Weight

  • 686.9873
 
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Names and Synonyms

Synonym

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

Systematic Name

  • Propanoic acid, 3-fluoro-3-((8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)amino)-

Registry Numbers

CAS Registry Number

  • 174740-53-5

System Generated Number

  • 0174740535

Structure Descriptors

InChI

1S/C41H67FN2O5/c1-26(2)27-16-21-41(36(49)43-24-12-10-8-9-11-13-33(46)44-32(42)25-34(47)48)23-22-39(6)28(35(27)41)14-15-30-38(5)19-18-31(45)37(3,4)29(38)17-20-40(30,39)7/h27-32,35,45H,1,8-25H2,2-7H3,(H,43,49)(H,44,46)(H,47,48)/t27-,28+,29-,30+,31-,32?,35+,38-,39+,40+,41-/m0/s1

InChIKey

ONZMOOVHAUZXCM-NSGQPJGBSA-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)F