Account (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
- Catalog No. :
- ACAPAG073
- CAS No. :
- 110865-90-2
- Molecular Formula :
- C73H89ClN10O26
- Molecular Weight :
- 1558.01
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C73H89ClN10O26 |
| Molecular Weight | 1558.01 |
| SMILES | CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C4=C(C(O)=CC(O)=C4)C4=C(O)C=CC3=C4)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)C3=CC=C(C=C3)OC3=CC2=CC(=C3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@@H](O)[C@H](C)O2)OC2=C(Cl)C=C(C=C2)[C@H]1O |
| InChI Key | UECIPBUIMXSXEI-BNSVOVDNSA-N |
| Synonym | A82846A |
| CAS No. | 110865-90-2 |
| PubChem CID | 122131 |
Synthetic Route by SureRoute
2. ACAPAG073 Molecular Building Block Synthetic Route
(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)-10,19-dichloro-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5R,6S)-4-(((4'-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-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)-10,19-dichloro-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5R,6S)-4-(((4'-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-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--phosphoric acid (1/1)