Account 1-Isobutyl-3-(2-(2-((E)-4-(4-((4-methyl-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-1H-indol-3-yl)methyl)phenyl)but-3-en-1-yl)-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl)urea
- Catalog No. :
- ACKXAY489
- CAS No. :
- 1702300-68-2
- Molecular Formula :
- C42H59N5O7
- Molecular Weight :
- 745.96
IUPAC Name:1-isobutyl-3-(2-(2-((E)-4-(4-((4-methyl-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-1H-indol-3-yl)methyl)phenyl)but-3-en-1-yl)-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl)urea
![1-Isobutyl-3-(2-(2-((E)-4-(4-((4-methyl-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-1H-indol-3-yl)methyl)phenyl)but-3-en-1-yl)-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl)urea structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 1-Isobutyl-3-(2-(2-((E)-4-(4-((4-methyl-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-1H-indol-3-yl)methyl)phenyl)but-3-en-1-yl)-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl)urea |
|---|---|
| IUPAC Name | 1-isobutyl-3-(2-(2-((E)-4-(4-((4-methyl-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-1H-indol-3-yl)methyl)phenyl)but-3-en-1-yl)-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl)urea |
| Molecular Formula | C42H59N5O7 |
| Molecular Weight | 745.96 |
| SMILES | O=C(NCC(N(CC1)CCC21CCCN(CC/C=C/C3=CC=C(CC4=CN([C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)C6=C4C(C)=CC=C6)C=C3)C2)=O)NCC(C)C |
| InChI Key | FKIOLBPLWMSMGV-GHNBFRBQSA-N |
| Synonym | Urea, N-[2-[2-[(3E)-4-[4-[(1-β-D-glucopyranosyl-4-methyl-1H-indol-3-yl)methyl]phenyl]-3-buten-1-yl]-2,9-diazaspiro[5.5]undec-9-yl]-2-oxoethyl]-N'-(2-methylpropyl)- |
| CAS No. | 1702300-68-2 |
Synthetic Route by SureRoute
2. ACKXAY489 Molecular Building Block Synthetic Route
1-Isobutyl-3-(2-(2-(3-(4-((4-methyl-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-1H-indol-3-yl)methyl)phenoxy)propyl)-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl)urea
TA-1887
4-(((5S,6R,7R,9R)-6-Methoxy-5-methyl-14,16-dioxo-6,7,8,9,15,16-hexahydro-5H,14H-17-oxa-4b,9a,15-triaza-5,9-methanodibenzo[b,h]cyclonona[jkl]cyclopenta[e]-as-indacen-7-yl)(methyl)amino)-4-oxobutanoic acid