Account BTK-IN-5
- Catalog No. :
- ACWUTP513
- CAS No. :
- 2145152-06-1
- Molecular Formula :
- C23H32N4O5
- Molecular Weight :
- 444.53
IUPAC Name:(S)-N-((2S,3R)-3-(tert-butoxy)-1-(((R)-3-(4-cyanophenyl)-1-(methylamino)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)-2-methyloxirane-2-carboxamide
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Product Information
| Product Name | BTK-IN-5 |
|---|---|
| IUPAC Name | (S)-N-((2S,3R)-3-(tert-butoxy)-1-(((R)-3-(4-cyanophenyl)-1-(methylamino)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)-2-methyloxirane-2-carboxamide |
| Molecular Formula | C23H32N4O5 |
| Molecular Weight | 444.53 |
| SMILES | C(N[C@H](C(N[C@H](CC1=CC=C(C#N)C=C1)C(NC)=O)=O)[C@H](OC(C)(C)C)C)(=O)[C@]2(C)CO2 |
| InChI Key | LRXNJCCPNMMAJW-SWDAYOAKSA-N |
| Synonym | BTK-IN-5 |
| CAS No. | 2145152-06-1 |
Synthetic Route by SureRoute
2. ACWUTP513 Molecular Building Block Synthetic Route
N-N-(L-Tyrosyl)-O-(tert-butyl)-D-serylglycyl-L-phenylalanyl-L-leucyl-O-(tert-butyl)-L-threonine
(2S,3R)-2-amino-N-((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-((R)-1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)-3-hydroxybutanamide
(2S,5S,8S,11S,20S,E)-20-((2S,5S,8S,11S,14S,17S,20S,23S,26S)-38-amino-14,23,26-tris(4-aminobutyl)-11-benzyl-2-(hydroxymethyl)-8,20-diisobutyl-5-isopropyl-17-methyl-4,7,10,13,16,19,22,25,28-nonaoxo-30,33,36-trioxa-3,6,9,12,15,18,21,24,27-nonaazaoctatriacontanamido)-8-(4-aminobutyl)-N-((S)-1-(((S)-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-oxopropan-2-yl)-5-isobutyl-2,11,20-trimethyl-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-ene-11-carboxamide