Primary Record
10-Dechloro-10-(1-octenyl)vancomycin
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 45379361
- SMILES
- CCCCCC/C=C/C1=C2C=CC(=C1)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@@H]3C4=CC(=C(C(=C4)OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O)C8=C(C=CC(=C8)[C@H](C(=O)N6)NC3=O)O)C(=O)O)O)Cl)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1C[C@]([C@@H]([C@@H](O1)C)O)(C)N)O2)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O
- Canonical SMILES
- CCCCCC/C=C/c1cc2ccc1Oc1cc3cc(c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)Oc1ccc(cc1Cl)[C@@H](O)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@@H]2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2[C@@H](C(=O)O)NC1=O
Names & Synonyms
- 10-Dechloro-10-(1-octenyl)vancomycin
- J2.721.014G
- (1S,2R,18R,19R,22S,25R,28R,40S)-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-49-chloro-2,18,32,35,37-pentahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-47-(oct-1-en-1-yl)-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid