(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-((ethylcarbamoyl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)-4-(1H-indol-3-yl)butanoic acid

Catalog No. :
ACLEBP468
CAS No. :
2938227-14-4
Molecular Formula :
C39H57N3O5
Molecular Weight :
647.90

IUPAC Name:(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-((ethylcarbamoyl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)-4-(1H-indol-3-yl)butanoic acid

(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-((ethylcarbamoyl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)-4-(1H-indol-3-yl)butanoic acid structure diagram
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Product Information

Product Name(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-((ethylcarbamoyl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)-4-(1H-indol-3-yl)butanoic acid
IUPAC Name(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-((ethylcarbamoyl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)-4-(1H-indol-3-yl)butanoic acid
MDL No.MFCD00944908
Molecular FormulaC39H57N3O5
Molecular Weight647.90
SMILESCCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)N[C@H](CC(=O)O)CC4=CNC5=CC=CC=C45)CC[C@@H]32)C1
InChI KeyJZDJKWCLKGBXIC-LRVDEVEJSA-N
SynonymUniPR505;1H-Indole-3-butanoic acid, β-[[(3α,5β)-3-[[(ethylamino)carbonyl]oxy]-24-oxocholan-24-yl]amino]-, (βS)-
CAS No.2938227-14-4

Synthetic Route by SureRoute

1. ACLEBP468 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACLEBP468 route product structure diagram
    ACLEBP4682938227-14-4
Inquiry

2. ACLEBP468 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACLEBP468 route product structure diagram
    ACLEBP4682938227-14-4
Inquiry

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