Chemical Compound

J1.720.958B

J1.720.958B chemical structure
Primary Record

J1.720.958B

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177387934
SMILES
CCCCCCCCCCNCC1=C(C=C2C(NC(=O)[C@@H]3[C@@H](C4=CC=C(C=C4)OC5=C(C6=CC(=C5)[C@H](C(=O)N[C@H](C7=CC(=C(C=C7)O)C2=C1O)C(=O)N3)NC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C8=CC(=C(O6)C=C8)Cl)O)NC(=O)[C@@H](CC(C)C)NC)CC(=O)N)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)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)C(=O)O)O
Canonical SMILES
CCCCCCCCCCNCc1c(O)cc2c(c1O)-c1cc(ccc1O)[C@H]1NC(=O)[C@@H]3NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)c4ccc(c(Cl)c4)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(cc3)[C@@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)[C@H](NC1=O)C(=O)NC2C(=O)O

Names & Synonyms

  • J1.720.958B
  • (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-36-[(decylamino)methyl]-18,32,35,37-tetrahydroxy-19-[(2R)-4-methyl-2-(methylamino)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-29-(decylaminomethyl)vancomycin