Account 17-GMB-APA-GA
- Catalog No. :
- ACPXQB107
- CAS No. :
- 256337-10-7
- Molecular Formula :
- C39H53N5O11
- Molecular Weight :
- 767.88
IUPAC Name:(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-((3-(4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanamido)propyl)amino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
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Product Information
| Product Name | 17-GMB-APA-GA |
|---|---|
| IUPAC Name | (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-((3-(4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanamido)propyl)amino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate |
| Molecular Formula | C39H53N5O11 |
| Molecular Weight | 767.88 |
| SMILES | O=C(C=CC1=O)N1CCCC(NCCCNC2=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@H](/C=C([C@H](OC(N)=O)[C@H](/C=C\C=C(C(NC3=CC2=O)=O)/C)OC)\C)C)C3=O)=O |
| InChI Key | OPWAYYOLUIAKCJ-WOTUWNQMSA-N |
| Synonym | Geldanamycin, 17-demethoxy-17-[[3-[[4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxobutyl]amino]propyl]amino]- |
| CAS No. | 256337-10-7 |
Synthetic Route by SureRoute
2. ACPXQB107 Molecular Building Block Synthetic Route
17-AEP-GA
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-((2-(Dimethylamino)ethyl)amino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate hydrochloride
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(Allylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate