Account Mideplanin
- Catalog No. :
- ACRBET767
- CAS No. :
- 122173-74-4
- Molecular Formula :
- C93H109Cl2N11O32
- Molecular Weight :
- 1963.85
IUPAC Name:34-((3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-15-amino-22,31-dichloro-56-((4,5-dihydroxy-6-(hydroxymethyl)-3-(8-methylnonanamido)tetrahydro-2H-pyran-2-yl)oxy)-N-(3-(dimethylamino)propyl)-6,11,40,44-tetrahydroxy-2,16,36,50,51,59-hexaoxo-42-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,16,17,18,19,35,36,37,38,48,49,50,50a-tetradecahydro-1H,15H,34H-3,18:35,48-bis(epiminomethano)-20,23:30,33-dietheno-4,8:10,14:25,28:43,47-tetra(metheno)benzo[14,15][1]oxa[7,17]diazacyclotetracosino[4,5-d][1,14]dioxa[6,22]diazacyclooctacosine-38-carboxamide
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Product Information
| Product Name | Mideplanin |
|---|---|
| IUPAC Name | 34-((3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-15-amino-22,31-dichloro-56-((4,5-dihydroxy-6-(hydroxymethyl)-3-(8-methylnonanamido)tetrahydro-2H-pyran-2-yl)oxy)-N-(3-(dimethylamino)propyl)-6,11,40,44-tetrahydroxy-2,16,36,50,51,59-hexaoxo-42-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,16,17,18,19,35,36,37,38,48,49,50,50a-tetradecahydro-1H,15H,34H-3,18:35,48-bis(epiminomethano)-20,23:30,33-dietheno-4,8:10,14:25,28:43,47-tetra(metheno)benzo[14,15][1]oxa[7,17]diazacyclotetracosino[4,5-d][1,14]dioxa[6,22]diazacyclooctacosine-38-carboxamide |
| Molecular Formula | C93H109Cl2N11O32 |
| Molecular Weight | 1963.85 |
| SMILES | O=C(C)NC1C(OC(C(C1O)O)CO)OC2C3=CC=C(C(Cl)=C3)OC4=CC5=CC(OC6=CC=C(CC7NC(C(C8=CC=C(C(OC9=CC(O)=CC(C(C(NC5C(NC%10C(NC2C(NC(C%11=CC(O)=CC(OC%12OC(C(C(C%12O)O)O)CO)=C%11C%13=CC%10=CC=C%13O)C(NCCCN(C)C)=O)=O)=O)=O)=O)NC7=O)=C9)=C8)O)N)=O)C=C6Cl)=C4OC%14OC(C(C(C%14NC(CCCCCCC(C)C)=O)O)O)CO |
| InChI Key | KVZUWEFUEGGULL-UHFFFAOYSA-N |
| Synonym | Mideplanin;MDL 62873 |
| CAS No. | 122173-74-4 |
Synthetic Route by SureRoute
2. ACRBET767 Molecular Building Block Synthetic Route
(3S,15R,18R,34R,35S,38S,48R,50aR)-34-(((2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-15-amino-22,31-dichloro-56-(((2S,3R,4R,5S,6R)-3-((Z)-dec-4-enamido)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6,11,40,44-tetrahydroxy-2,16,36,50,51,59-hexaoxo-42-(((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,16,17,18,19,35,36,37,38,48,49,50,50a-tetradecahydro-1H,15H,34H-3,18:35,48-bis(epiminomethano)-20,23:30,33-dietheno-4,8:10,14:25,28:43,47-tetra(metheno)benzo[14,15][1]oxa[7,17]diazacyclotetracosino[4,5-d][1,14]dioxa[6,22]diazacyclooctacosine-38-carboxylic acid
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