Account (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
- Catalog No. :
- ACXXVF481
- CAS No. :
- 91032-34-7
- Molecular Formula :
- C88H95Cl2N9O33
- Molecular Weight :
- 1877.66
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C88H95Cl2N9O33 |
| Molecular Weight | 1877.66 |
| SMILES | CCCCC/C=C\CCC(=O)N[C@H]1[C@H](OC2=C3C=C4C=C2OC2=C(Cl)C=C(C=C2)C[C@H]2NC(=O)[C@H](N)C5=CC(=C(O)C=C5)OC5=CC(=CC(O)=C5)[C@H](NC2=O)C(=O)N[C@H]4C(=O)N[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C4=C(C(O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)=CC(O)=C4)C4=C(O)C=CC2=C4)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)C2=CC(Cl)=C(C=C2)O3)O[C@H](CO)[C@@H](O)[C@@H]1O |
| InChI Key | YMWQIYMUNZBOOV-CFYXQOLXSA-N |
| CAS No. | 91032-34-7 |
Synthetic Route by SureRoute
2. ACXXVF481 Molecular Building Block Synthetic Route
Mideplanin
(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-22-(((2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-10,19-dichloro-7,28,30,32-tetrahydroxy-6-((R)-4-methyl-2-(methylamino)pentanamido)-2,5,24,38,39-pentaoxo-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)benzo[n][1]oxa[6,9]diazacyclohexadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-26-carboxylic acid
(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-22-(((2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-10-chloro-7,28,30,32-tetrahydroxy-6-((R)-4-methyl-2-(methylamino)pentanamido)-2,5,24,38,39-pentaoxo-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)benzo[n][1]oxa[6,9]diazacyclohexadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-26-carboxylic acid