Account (3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-10,19-dichloro-7,22,28,30,32,44-hexahydroxy-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. :
- ACUHGD490
- CAS No. :
- 82198-76-3
- Molecular Formula :
- C53H52Cl2N8O17
- Molecular Weight :
- 1143.94
IUPAC Name:(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-10,19-dichloro-7,22,28,30,32,44-hexahydroxy-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)-10,19-dichloro-7,22,28,30,32,44-hexahydroxy-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)-10,19-dichloro-7,22,28,30,32,44-hexahydroxy-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)-10,19-dichloro-7,22,28,30,32,44-hexahydroxy-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 | C53H52Cl2N8O17 |
| Molecular Weight | 1143.94 |
| 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)C3=CC(Cl)=C(C=C3)OC3=CC2=CC(=C3O)OC2=C(Cl)C=C(C=C2)[C@H]1O |
| InChI Key | JHIKFOISFAQTJQ-YZANBJIASA-N |
| Synonym | Aglucovancomycin B | CHEBI:47724 | Vancomycin aglycon | SCHEMBL18089766 | Q27120784 | Balhimycin aglycon | (2-amino-2-oxo-ethyl)-dichloro-hexahydroxy-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-pentaoxo-[?]carboxylic acid | C20719 | vancomycin aglycon |
| CAS No. | 82198-76-3 |
| PubChem CID | 445835 |
Synthetic Route by SureRoute
2. ACUHGD490 Molecular Building Block Synthetic Route
(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-10,19-dichloro-7,22,28,30,32-pentahydroxy-6-((R)-4-methyl-2-(methylamino)pentanamido)-2,5,24,38,39-pentaoxo-44-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-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)-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