Primary Record
J1.490.771H
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 177390592
- SMILES
- C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC=C(O4)C=C1)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)N(C)C(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O)Cl)CO)O)O)(C)N)O
- Canonical SMILES
- CC(=O)OC[C@H]1O[C@@H](NC(=S)N(C)[C@H](CC(C)C)C(=O)N[C@H]2C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]3C(=O)N[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)[C@H](O[C@H]4C[C@](C)(N)[C@@H](O)[C@H](C)O4)c4ccc(cc4)Oc4cc3cc(c4O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)Oc3ccc(cc3Cl)[C@H]2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Names & Synonyms
- J1.490.771H
- (1S,2R,18R,19R,22S,25R,28R,40S)-2-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-47-chloro-18,32,35,37-tetrahydroxy-19-[(2R)-4-methyl-2-[methyl({[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]carbamothioyl})amino]pentanamido]-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
- (4 R)-22-O-(3-Amino-3-C-methyl-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)-19-dechloro-56-[[(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-glucopyranosyl)amino]thioxomethyl]vancomycin