Primary Record
J1.770.727B
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 177615582
- SMILES
- C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3OP(=O)(O)OC[C@H](C(=O)O)OC/C=C(/C)\CC/C=C/C(C)(C)CCC(=C)C/C=C(\C)/CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C6=NC(=NN6C7=CC(=C(C=C7)[N+](=O)[O-])C(=O)NCCNC(=S)NC8=CC=C(C=C8)C(=O)OC(CNC(=O)OCC9=C(C=C(C=C9)C1(N=N1)C(F)(F)F)OC)C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)CCC(=O)O)O)O)O
- Canonical SMILES
- C=C(C/C=C(\C)CCC=C(C)C)CCC(C)(C)/C=C/CC/C(C)=C\CO[C@H](COP(=O)(O)O[C@H]1O[C@H](C(N)=O)[C@@](C)(O)[C@H](OC(N)=O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@@H]3O[C@H](c4nc(C(=O)CCC(=O)O)nn4-c4ccc([N+](=O)[O-])c(C(=O)NCCNC(=S)Nc5ccc(C(=O)OC(CNC(=O)OCc6ccc(C7(C(F)(F)F)N=N7)cc6OC)C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]6SC[C@@H]7NC(=O)N[C@@H]76)cc5)c4)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)C(=O)O
Names & Synonyms
- J1.770.727B
- [(R)-2-Carboxy-2-[[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylene-2,6,13,17-nonadecatetrenyl]oxy]ethoxy]phosphonyl 2-O-[2-(acetylamino)-4-O-[2-(acetylamino)-4-O-[(5R)-5-[1-[3-[[2-[3-[4-[[1-[[3-[2-[2-[3-[5-[[(3abeta,4S,6abeta)-2-oxohexahydro-1H-thieno[3,4-d]imidazole]-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]carbamoyl]-2-[[2-methoxy-4-[3-(trifluoromethyl)-3H-diazirine-3-yl]benzyloxy]carbonylamino]ethoxy]carbonyl]phenyl]thioureido]ethyl]carbamoyl]-4-nitrophenyl]-3-(3-carboxypropionyl)-1H-1,2,4-triazole-5-yl]-alpha-L-arabinopyranosyl]-2,6-dideoxy-beta-D-glucopyranosyl]-6-O-beta-D-glucopyranosyl-2-deoxy-beta-D-glucopyranosyl]-3-O-carbamoyl-4-C-methyl-alpha-D-glucopyranosiduronamide
- 4-[1-(3-{[2-({[4-({1-[(3-{2-[2-(3-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}propoxy)ethoxy]ethoxy}propyl)carbamoyl]-2-{[({2-methoxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}methoxy)carbonyl]amino}ethoxy}carbonyl)phenyl]carbamothioyl}amino)ethyl]carbamoyl}-4-nitrophenyl)-5-[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3R,4R,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-2-({[(2R)-2-carboxy-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl]oxy}ethoxy](hydroxy)phosphoryl}oxy)-5-hydroxy-5-methyloxan-3-yl]oxy}-5-acetamido-4-hydroxy-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-5-acetamido-4-hydroxy-2-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]-1H-1,2,4-triazol-3-yl]-4-oxobutanoic acid