Primary Record
J2.028.772A
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 177605373
- SMILES
- C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=CC(=C(C(=C4C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC1=C(C=C(C=C1)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)O)O)CNCCCCCCN(C)C)O)C(=O)O)(C)NCC1=CC=C(C=C1)/C=C/C1=CC=C(C=C1)Cl)O
- Canonical 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)c4cc(O)c(CNCCCCCCN(C)C)c(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(NCc4ccc(/C=C/c5ccc(Cl)cc5)cc4)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccc(cc2Cl)[C@H]1O
Names & Synonyms
- J2.028.772A
- (1S,2R,18R,19R,22S,25R,28R,40S)-22-(carbamoylmethyl)-47,49-dichloro-2-{[(2R,4S,5R,6S)-4-[({4-[2-(4-chlorophenyl)ethenyl]phenyl}methyl)amino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-36-({[6-(dimethylamino)hexyl]amino}methyl)-18,32,35,37-tetrahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-48-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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
- 2 -O-De(3-amino-3-C-methyl-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)-22-O-[3-(4 -chlorostilbene-4-ylmethylamino)-3-C-methyl-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl]-29-[6-(dimethylamino)hexylaminomethyl]vancomycin