Primary Record
Dalbavancin
- In stock
- 3,553 g
- Purity
- 99.6 %
- CAS
- 171500-79-1
Compound Identifiers & Properties
- CAS
- 171500-79-1
- PubChem CID
- 138394207
- SMILES
- CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](C2=CC=C(O3)C=C2)C(=O)N1)NC)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O
- Canonical SMILES
- CN[C@H]1C(=O)N[C@H]2C(=O)N[C@H](C(=O)N[C@H]3C(=O)N[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCN(C)C)c5cc(O)cc(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)c5-c5cc4ccc5O)[C@H](O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc2cc3)c2cc(cc(O)c2Cl)Oc2cc1ccc2O
Names & Synonyms
- Dalbavancin
- DTXSID80873214
- (2S,3S,4R,5R,6S)-6-{[(1R,17R,18S,21S,33R,36R,39S,51R)-14,41-Dichloro-21-{[3-(dimethylamino)propyl]carbamoyl}-17,24,29,42,47-pentahydroxy-51-(methylamino)-19,35,38,52,54,58-hexaoxo-26-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6,12,45-trioxa-20,34,37,53,55,59-hexaazaundecacyclo[37.14.2.2~2,5~.2~13,16~.2~18,33~.1~7,11~.1~28,32~.1~40,44~.1~46,50~.0~9,36~.0~22,27~]pentahexaconta-2,4,7(63),8,10,13,15,22,24,26,28(60),29,31,40(57),41,43,46(56),47,49,61,64-henicosaen-63-yl]oxy}-3,4-dihydroxy-5-(10-methylundecanamido)oxane-2-carboxylic acid
- 171500-79-1