Account 45-((3-((4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-44,46-dichloro-8,23,29,31,33-pentahydroxy-7-(4-methyl-2-(methylamino)pentanamido)-2,6,25,39,40-pentaoxo-1,2,3,4,5,6,7,8,24,25,26,27,37,38,39,39a-hexadecahydro-23H-24,37-(epiminomethano)-9,12:19,22-dietheno-14,17:32,36-di(metheno)benzo[n][1]oxa[6,10]diazacycloheptadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-4,27-dicarboxylic acid
- Catalog No. :
- ACCDPF895
- CAS No. :
- 55598-85-1
- Molecular Formula :
- C66H74Cl2N8O25
- Molecular Weight :
- 1450.26
IUPAC Name:45-((3-((4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-44,46-dichloro-8,23,29,31,33-pentahydroxy-7-(4-methyl-2-(methylamino)pentanamido)-2,6,25,39,40-pentaoxo-1,2,3,4,5,6,7,8,24,25,26,27,37,38,39,39a-hexadecahydro-23H-24,37-(epiminomethano)-9,12:19,22-dietheno-14,17:32,36-di(metheno)benzo[n][1]oxa[6,10]diazacycloheptadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-4,27-dicarboxylic acid
![45-((3-((4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-44,46-dichloro-8,23,29,31,33-pentahydroxy-7-(4-methyl-2-(methylamino)pentanamido)-2,6,25,39,40-pentaoxo-1,2,3,4,5,6,7,8,24,25,26,27,37,38,39,39a-hexadecahydro-23H-24,37-(epiminomethano)-9,12:19,22-dietheno-14,17:32,36-di(metheno)benzo[n][1]oxa[6,10]diazacycloheptadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-4,27-dicarboxylic acid structure diagram](/images/productimg/no-pic.svg)
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| Product Name | 45-((3-((4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-44,46-dichloro-8,23,29,31,33-pentahydroxy-7-(4-methyl-2-(methylamino)pentanamido)-2,6,25,39,40-pentaoxo-1,2,3,4,5,6,7,8,24,25,26,27,37,38,39,39a-hexadecahydro-23H-24,37-(epiminomethano)-9,12:19,22-dietheno-14,17:32,36-di(metheno)benzo[n][1]oxa[6,10]diazacycloheptadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-4,27-dicarboxylic acid |
|---|---|
| IUPAC Name | 45-((3-((4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-44,46-dichloro-8,23,29,31,33-pentahydroxy-7-(4-methyl-2-(methylamino)pentanamido)-2,6,25,39,40-pentaoxo-1,2,3,4,5,6,7,8,24,25,26,27,37,38,39,39a-hexadecahydro-23H-24,37-(epiminomethano)-9,12:19,22-dietheno-14,17:32,36-di(metheno)benzo[n][1]oxa[6,10]diazacycloheptadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-4,27-dicarboxylic acid |
| Molecular Formula | C66H74Cl2N8O25 |
| Molecular Weight | 1450.26 |
| SMILES | CNC(CC(C)C)C(=O)NC1C(=O)NC(C(=O)O)CC(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)C4=C(C(O)=CC(O)=C4)C4=C(O)C=CC3=C4)C(O)C3=CC=C(OC4=CC2=CC(=C4OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(O)C(C)O2)OC2=CC=C(C=C2Cl)C1O)C(Cl)=C3 |
| InChI Key | OGMARHJAPWBNFA-UHFFFAOYSA-N |
| CAS No. | 55598-85-1 |
Synthetic Route by SureRoute
2. ACCDPF895 Molecular Building Block Synthetic Route
(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-Amino-2-oxoethyl)-44-[[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-lyxo-hexopyranosyl)-β-D-glucopyranosyl]oxy]-10,19-dichloro-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-[[(2R)-4-methyl-2-(methylamino)-1-oxopentyl]amino]-2,5,24,38,39-pentaoxo-22H-8,11:18,21-Dietheno-23,36-(iminomethano)-13,16:31,35-dimetheno-1H,16H-[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-26-carboxylic acid
(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-Amino-2-oxoethyl)-44-[[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-lyxo-hexopyranosyl)-β-D-glucopyranosyl]oxy]-10,19-dichloro-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-[[(2R)-4-methyl-2-(methylamino)-1-oxopentyl]amino]-2,5,24,38,39-pentaoxo-22H-8,11:18,21-Dietheno-23,36-(iminomethano)-13,16:31,35-dimetheno-1H,16H-[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-26-carboxylic acid xhydrochloride
(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-6-((R)-2-amino-4-methylpentanamido)-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-43,45-dichloro-7,22,28,30,32-pentahydroxy-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 hydrochloride