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Substance Name: L-Alanine, N-(8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)-
RN: 150840-58-7
InChIKey: VZYUXFSPHBSIRY-CVWRMCEYSA-N

Molecular Formula

  • C41-H68-N2-O5

Molecular Weight

  • 668.9972
 
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Names and Synonyms

Synonym

  • N'-(N-(3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-L-alanine

Systematic Name

  • L-Alanine, N-(8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)-

Registry Numbers

CAS Registry Number

  • 150840-58-7

System Generated Number

  • 0150840587

Structure Descriptors

InChI

1S/C41H68N2O5/c1-26(2)28-17-22-41(36(48)42-25-13-11-9-10-12-14-33(45)43-27(3)35(46)47)24-23-39(7)29(34(28)41)15-16-31-38(6)20-19-32(44)37(4,5)30(38)18-21-40(31,39)8/h27-32,34,44H,1,9-25H2,2-8H3,(H,42,48)(H,43,45)(H,46,47)/t27?,28-,29+,30-,31+,32-,34+,38-,39+,40+,41-/m0/s1

InChIKey

VZYUXFSPHBSIRY-CVWRMCEYSA-N

Smiles

CC(C(=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