Account (S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)-4-(1H-indol-3-yl)butanoic acid
- Catalog No. :
- ACTXEB129
- CAS No. :
- 1639159-47-9
- Molecular Formula :
- C36H52N2O4
- Molecular Weight :
- 576.82
IUPAC Name:(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)-4-(1H-indol-3-yl)butanoic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)-4-(1H-indol-3-yl)butanoic acid |
| Molecular Formula | C36H52N2O4 |
| Molecular Weight | 576.82 |
| SMILES | C[C@H](CCC(=O)N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChI Key | JGYYGEYIQBZUCC-ZOOAIUBFSA-N |
| Synonym | 1H-Indole-3-butanoic acid, β-[[(3α,5β)-3-hydroxy-24-oxocholan-24-yl]amino]-, (βS)-;Uni PR 129;UniPR129;Uni-PR-129;UniPR129,UniPR-129;N-(3α-hydroxy-5β-cholan-24-oyl)-L-β-homotryptophan |
| CAS No. | 1639159-47-9 |
Synthetic Route by SureRoute
2. ACTXEB129 Molecular Building Block Synthetic Route
(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
(R)-3-((tert-Butoxycarbonyl)amino)-4-(1H-indol-3-yl)butanoic acid
(S)-3-((tert-Butoxycarbonyl)amino)-4-(1H-indol-3-yl)butanoic acid