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Substance Name: Benzenepentanoic acid, beta-hydroxy-gamma-((8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)amino)-, (S-(R*,R*))-
RN: 174740-58-0
InChIKey: WOSYIMDWOZJRBJ-GDZKKHLGSA-N

Molecular Formula

  • C49-H76-N2-O6

Molecular Weight

  • 789.1474
 
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Names and Synonyms

Synonym

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

Systematic Name

  • Benzenepentanoic acid, beta-hydroxy-gamma-((8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)amino)-, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 174740-58-0

System Generated Number

  • 0174740580

Structure Descriptors

InChI

1S/C49H76N2O6/c1-32(2)34-21-26-49(28-27-47(6)35(43(34)49)19-20-39-46(5)24-23-40(53)45(3,4)38(46)22-25-48(39,47)7)44(57)50-29-15-10-8-9-14-18-41(54)51-36(37(52)31-42(55)56)30-33-16-12-11-13-17-33/h11-13,16-17,34-40,43,52-53H,1,8-10,14-15,18-31H2,2-7H3,(H,50,57)(H,51,54)(H,55,56)/t34-,35+,36-,37-,38-,39+,40-,43+,46-,47+,48+,49-/m0/s1

InChIKey

WOSYIMDWOZJRBJ-GDZKKHLGSA-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)N[C@@H](Cc6ccccc6)[C@H](CC(=O)O)O