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Substance Name: Butanoic acid, 3-((8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)amino)-
RN: 174740-52-4
InChIKey: YSRIHHRMRYHAJR-OKZCBTSDSA-N

Molecular Formula

  • C42-H70-N2-O5

Molecular Weight

  • 683.024
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 174740-52-4

System Generated Number

  • 0174740524

Structure Descriptors

InChI

1S/C42H70N2O5/c1-27(2)29-17-22-42(37(49)43-25-13-11-9-10-12-14-34(46)44-28(3)26-35(47)48)24-23-40(7)30(36(29)42)15-16-32-39(6)20-19-33(45)38(4,5)31(39)18-21-41(32,40)8/h28-33,36,45H,1,9-26H2,2-8H3,(H,43,49)(H,44,46)(H,47,48)/t28?,29-,30+,31-,32+,33-,36+,39-,40+,41+,42-/m0/s1

InChIKey

YSRIHHRMRYHAJR-OKZCBTSDSA-N

Smiles

CC(CC(=O)O)NC(=O)CCCCCCCNC(=O)[C@]12CC[C@H]([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(=C)C