Account PD 136450
- Catalog No. :
- ACMTSF142
- CAS No. :
- 139067-52-0
- Molecular Formula :
- C35H40N4O6
- Molecular Weight :
- 612.73
IUPAC Name:(E)-4-((2-(2-(((adamantan-2-yloxy)carbonyl)amino)-3-(1H-indol-3-yl)-2-methylpropanamido)-1-phenylethyl)amino)-4-oxobut-2-enoic acid
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Product Information
| Product Name | PD 136450 |
|---|---|
| IUPAC Name | (E)-4-((2-(2-(((adamantan-2-yloxy)carbonyl)amino)-3-(1H-indol-3-yl)-2-methylpropanamido)-1-phenylethyl)amino)-4-oxobut-2-enoic acid |
| Molecular Formula | C35H40N4O6 |
| Molecular Weight | 612.73 |
| SMILES | CC(CC1=CNC2=C1C=CC=C2)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)/C=C/C(=O)O)C1=CC=CC=C1 |
| InChI Key | REMAMJQTIPBFTH-VAWYXSNFSA-N |
| Synonym | BDBM50007439 | (E)-4-[[2-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobut-2-enoic acid | 3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-1-phenyl-ethylcarbamoyl} |
| CAS No. | 139067-52-0 |
| PubChem CID | 6439414 |
Synthetic Route by SureRoute
2. ACMTSF142 Molecular Building Block Synthetic Route
4-(((R)-2-((R)-2-(((Adamantan-2-yloxy)carbonyl)amino)-3-(1H-indol-3-yl)-2-methylpropanamido)-1-phenylethyl)amino)-4-oxobutanoic acid
(2S,3S,4R,5R)-3,4,5,6-Tetrahydroxy-1-(methylamino)hexan-2-yl 4-(((R)-2-((R)-3-(1H-indol-3-yl)-2-methyl-2-(((((1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)carbonyl)amino)propanamido)-1-phenylethyl)amino)-4-oxobutanoate
PD-140548