About sodium;[2-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate;bis(carbon dioxide);[6-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-cyanoethynyl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluorobenzenesulfonate;[2-[4-[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxybut-3-ynyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate
sodium;[2-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate;bis(carbon dioxide);[6-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-cyanoethynyl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluorobenzenesulfonate;[2-[4-[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxybut-3-ynyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate (PubChem CID 157344547) has the molecular formula C251H364F4N25NaO78S
and a molecular weight of 5110.82 g/mol. Its IUPAC name is sodium;[2-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate;bis(carbon dioxide);[6-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-cyanoethynyl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluorobenzenesulfonate;[2-[4-[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxybut-3-ynyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate.
Frequently Asked Questions
What is the IUPAC name of sodium;[2-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate;bis(carbon dioxide);[6-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-cyanoethynyl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluorobenzenesulfonate;[2-[4-[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxybut-3-ynyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate?
The IUPAC name of sodium;[2-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate;bis(carbon dioxide);[6-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-cyanoethynyl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluorobenzenesulfonate;[2-[4-[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxybut-3-ynyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate (CID 157344547) is sodium;[2-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate;bis(carbon dioxide);[6-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-cyanoethynyl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluorobenzenesulfonate;[2-[4-[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxybut-3-ynyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate.
What is the SMILES notation for sodium;[2-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate;bis(carbon dioxide);[6-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-cyanoethynyl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluorobenzenesulfonate;[2-[4-[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxybut-3-ynyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate?
The canonical SMILES for sodium;[2-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate;bis(carbon dioxide);[6-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-cyanoethynyl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluorobenzenesulfonate;[2-[4-[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxybut-3-ynyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate is C#CCC(OC(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H]([C@@H](C)CC)[C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](C)[C@@H](O)c1ccccc1)OC)C(C)C)C(C)C)c1ccc(OC2OC(C)C(C)C(C)C2OC(C)=O)c([N+](=O)[O-])c1.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OC(Cc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN)nn1)c1ccc(OC2OC(C)C(C)C(C)C2OC(C)=O)c([N+](=O)[O-])c1)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OC(Cc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2ccc(C#CC#N)cc2)nn1)c1ccc(OC2OC(OC=O)C(O)C(O)C2O)c([N+](=O)[O-])c1)C(C)C.N#CC#Cc1ccc(C(=O)Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.O=C=O.O=C=O.[Na+].
What is the InChIKey of sodium;[2-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate;bis(carbon dioxide);[6-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-cyanoethynyl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluorobenzenesulfonate;[2-[4-[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxybut-3-ynyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate?
The InChIKey is BGUKRMLXYRSIOZ-WZDDEDNPSA-M. The full InChI is InChI=1S/C89H132N10O29.C83H137N9O25.C61H91N5O15.C16H5F4NO5S.2CO2.Na/c1-13-61(6)78(74(113-11)56-75(102)98-31-18-22-69(98)83(114-12)63(8)71(101)53-62(7)79(103)65-20-15-14-16-21-65)95(9)86(109)76(59(2)3)92-85(108)77(60(4)5)96(10)89(110)127-73(67-27-28-72(70(54-67)99(111)112)126-88-82(106)80(104)81(105)87(128-88)125-58-100)55-68-57-97(94-93-68)32-34-116-36-38-118-40-42-120-44-46-122-48-50-124-52-51-123-49-47-121-45-43-119-41-39-117-37-35-115-33-30-91-84(107)66-25-23-64(24-26-66)19-17-29-90;1-17-57(6)76(72(102-15)53-73(95)91-28-21-24-67(91)78(103-16)61(10)69(94)50-58(7)77(96)64-22-19-18-20-23-64)88(13)81(98)74(55(2)3)85-80(97)75(56(4)5)89(14)83(99)117-71(65-25-26-70(68(51-65)92(100)101)116-82-79(115-63(12)93)60(9)59(8)62(11)114-82)52-66-54-90(87-86-66)29-31-105-33-35-107-37-39-109-41-43-111-45-47-113-49-48-112-46-44-110-42-40-108-38-36-106-34-32-104-30-27-84;1-18-24-48(44-28-29-49(46(32-44)66(74)75)80-60-57(79-42(13)67)39(10)38(9)41(12)78-60)81-61(73)64(15)53(35(5)6)58(71)62-52(34(3)4)59(72)63(14)54(36(7)19-2)50(76-16)33-51(69)65-30-23-27-45(65)56(77-17)40(11)47(68)31-37(8)55(70)43-25-21-20-22-26-43;17-10-12(19)15(27(23,24)25)13(20)11(18)14(10)26-16(22)9-5-3-8(4-6-9)2-1-7-21;2*2-1-3;/h14-16,20-21,23-28,54,57-63,69,73-74,76-83,87-88,103-106H,13,18,22,30-53,55-56H2,1-12H3,(H,91,107)(H,92,108);18-20,22-23,25-26,51,54-62,67,71-72,74-79,82,96H,17,21,24,27-50,52-53,84H2,1-16H3,(H,85,97);1,20-22,25-26,28-29,32,34-41,45,48,50,52-57,60,70H,19,23-24,27,30-31,33H2,2-17H3,(H,62,71);3-6H,(H,23,24,25);;;/q;;;;;;+1/p-1/t61-,62-,63-,69-,73?,74+,76-,77-,78-,79+,80?,81?,82?,83+,87?,88?;57-,58-,59?,60?,61-,62?,67-,71?,72+,74-,75-,76-,77+,78+,79?,82?;36-,37-,38?,39?,40-,41?,45-,48?,50+,52-,53-,54-,55+,56+,57?,60?;;;;/m000..../s1.
What are the key properties of sodium;[2-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate;bis(carbon dioxide);[6-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-cyanoethynyl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluorobenzenesulfonate;[2-[4-[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxybut-3-ynyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate?
sodium;[2-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate;bis(carbon dioxide);[6-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-cyanoethynyl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluorobenzenesulfonate;[2-[4-[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxybut-3-ynyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate has a molecular weight of 5110.82 g/mol, XLogP of 18.69, 156 rotatable bonds, 11 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[2-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate;bis(carbon dioxide);[6-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-cyanoethynyl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxyethyl]-2-nitrophenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluorobenzenesulfonate;[2-[4-[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxybut-3-ynyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate is sourced from PubChem (CID 157344547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).