Account (3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-10,19-dichloro-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5S,6S)-4-((2-(decylamino)ethyl)amino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7,22,28,30,32-pentahydroxy-6-((R)-4-methyl-2-(methylamino)pentanamido)-2,5,24,38,39-pentaoxo-29-(((phosphonomethyl)amino)methyl)-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
- Catalog No. :
- ACODDR455
- CAS No. :
- 560130-42-9
- Molecular Formula :
- C80H107Cl3N11O27P
- Molecular Weight :
- 1792.12
IUPAC Name:(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-10,19-dichloro-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5S,6S)-4-((2-(decylamino)ethyl)amino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7,22,28,30,32-pentahydroxy-6-((R)-4-methyl-2-(methylamino)pentanamido)-2,5,24,38,39-pentaoxo-29-(((phosphonomethyl)amino)methyl)-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
![(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-10,19-dichloro-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5S,6S)-4-((2-(decylamino)ethyl)amino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7,22,28,30,32-pentahydroxy-6-((R)-4-methyl-2-(methylamino)pentanamido)-2,5,24,38,39-pentaoxo-29-(((phosphonomethyl)amino)methyl)-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 structure diagram](/images/productimg/no-pic.svg)
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| Product Name | (3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-10,19-dichloro-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5S,6S)-4-((2-(decylamino)ethyl)amino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7,22,28,30,32-pentahydroxy-6-((R)-4-methyl-2-(methylamino)pentanamido)-2,5,24,38,39-pentaoxo-29-(((phosphonomethyl)amino)methyl)-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 |
|---|---|
| IUPAC Name | (3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-10,19-dichloro-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5S,6S)-4-((2-(decylamino)ethyl)amino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7,22,28,30,32-pentahydroxy-6-((R)-4-methyl-2-(methylamino)pentanamido)-2,5,24,38,39-pentaoxo-29-(((phosphonomethyl)amino)methyl)-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 |
| Molecular Formula | C80H107Cl3N11O27P |
| Molecular Weight | 1792.12 |
| SMILES | CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@H]2[C@H](OC3=C4C=C5C=C3OC3=C(Cl)C=C(C=C3)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C5=CC(O)=C(CNCP(=O)(O)O)C(O)=C5C5=CC3=CC=C5O)[C@H](O)C3=CC(Cl)=C(C=C3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O.Cl |
| InChI Key | GSSIWSIRBWAZHG-ACOPVEIWSA-N |
| Synonym | Telavancin hydrochloride;N3''-[2-(Decylamino)ethyl]-29-[[(phosphonomethyl)amino]methyl]vancomycin hydrochloride;PubChem ID: 9812715;Telavancin HCl;TelavancinHydrochlorid;Teravanacin hydrochloride;Terafencin hydrochloride |
| CAS No. | 560130-42-9 |
Synthetic Route by SureRoute
2. ACODDR455 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