Account Dalbavancin
- Catalog No. :
- ACXOHR808
- CAS No. :
- 171500-79-1
- Molecular Formula :
- C88H100Cl2N10O28
- Molecular Weight :
- 1816.72
IUPAC Name:(2S,3S,4R,5R,6S)-6-(((3S,15R,18R,34R,35S,38S,48R,50aR)-5,31-dichloro-38-((3-(dimethylamino)propyl)carbamoyl)-6,11,34,40,44-pentahydroxy-15-(methylamino)-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]diazacyclooctacosin-56-yl)oxy)-3,4-dihydroxy-5-(10-methylundecanamido)tetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | Dalbavancin |
|---|---|
| IUPAC Name | (2S,3S,4R,5R,6S)-6-(((3S,15R,18R,34R,35S,38S,48R,50aR)-5,31-dichloro-38-((3-(dimethylamino)propyl)carbamoyl)-6,11,34,40,44-pentahydroxy-15-(methylamino)-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]diazacyclooctacosin-56-yl)oxy)-3,4-dihydroxy-5-(10-methylundecanamido)tetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C88H100Cl2N10O28 |
| Molecular Weight | 1816.72 |
| SMILES | [H][C@@]12CC3=CC=C(C=C3)OC4=C(C5=CC([C@@](NC([C@@](NC1=O)(C6=C(C(O)=CC(OC7=C(C=CC([C@H](C(N2)=O)NC)=C7)O)=C6)Cl)[H])=O)(C(N[C@@]8(C9=CC(C%10=C([C@@H](C(NCCCN(C)C)=O)NC([C@@](NC8=O)([C@@H](C%11=CC(Cl)=C(C=C%11)O5)O)[H])=O)C=C(C=C%10O[C@H]%12O[C@@H]([C@H]([C@@H]([C@@H]%12O)O)O)CO)O)=C(C=C9)O)[H])=O)[H])=C4)O[C@@H]%13O[C@H](C(O)=O)[C@H]([C@@H]([C@H]%13NC(CCCCCCCCC(C)C)=O)O)O |
| InChI Key | KGPGQDLTDHGEGT-SZUNQUCBSA-N |
| Synonym | Dalbavancin |
| CAS No. | 171500-79-1 |
| PubChem CID | 135659030 |
Synthetic Route by SureRoute
2. ACXOHR808 Molecular Building Block Synthetic Route
Dalbavancin hydrochloride
6-((5,31-dichloro-15-(dimethylamino)-38-((3-(dimethylamino)propyl)carbamoyl)-6,11,34,40,44-pentahydroxy-2,16,36,50,51,59-hexaoxo-42-((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]diazacyclooctacosin-56-yl)oxy)-3,4-dihydroxy-5-(9-methyldecanamido)tetrahydro-2H-pyran-2-carboxylic acid hydrochloride
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