About lithium;potassium;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;1-chloro-6-methoxyisoquinoline;(1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1-methylcyclopropyl) sulfamate;methyl (1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate;2-methylpropan-2-olate;hydroxide
lithium;potassium;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;1-chloro-6-methoxyisoquinoline;(1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1-methylcyclopropyl) sulfamate;methyl (1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate;2-methylpropan-2-olate;hydroxide (PubChem CID 158896232) has the molecular formula C143H198ClKLiN9O38S2
and a molecular weight of 2796.81 g/mol. Its IUPAC name is lithium;potassium;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;1-chloro-6-methoxyisoquinoline;(1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1-methylcyclopropyl) sulfamate;methyl (1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate;2-methylpropan-2-olate;hydroxide.
Frequently Asked Questions
What is the IUPAC name of lithium;potassium;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;1-chloro-6-methoxyisoquinoline;(1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1-methylcyclopropyl) sulfamate;methyl (1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate;2-methylpropan-2-olate;hydroxide?
The IUPAC name of lithium;potassium;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;1-chloro-6-methoxyisoquinoline;(1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1-methylcyclopropyl) sulfamate;methyl (1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate;2-methylpropan-2-olate;hydroxide (CID 158896232) is lithium;potassium;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;1-chloro-6-methoxyisoquinoline;(1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1-methylcyclopropyl) sulfamate;methyl (1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate;2-methylpropan-2-olate;hydroxide.
What is the SMILES notation for lithium;potassium;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;1-chloro-6-methoxyisoquinoline;(1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1-methylcyclopropyl) sulfamate;methyl (1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate;2-methylpropan-2-olate;hydroxide?
The canonical SMILES for lithium;potassium;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;1-chloro-6-methoxyisoquinoline;(1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1-methylcyclopropyl) sulfamate;methyl (1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate;2-methylpropan-2-olate;hydroxide is CC(C)(C)OC(=O)C[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)O)CC(=O)[C@@H]2C[C@@H](O)CN2C1=O.CC(C)(C)[O-].CC1(OS(N)(=O)=O)CC1.COC(=O)[C@]12CC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](CC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]1C2.COc1ccc2c(Cl)nccc2c1.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)OC6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)N4C3)nccc2c1.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)N4C3)nccc2c1.[K+].[Li+].[OH-].
What is the InChIKey of lithium;potassium;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;1-chloro-6-methoxyisoquinoline;(1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1-methylcyclopropyl) sulfamate;methyl (1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate;2-methylpropan-2-olate;hydroxide?
The InChIKey is JEWDPDIVOFBAQT-JGBJCUSISA-M. The full InChI is InChI=1S/C39H51N3O10S.C35H44N2O8.C26H39NO7.C25H37NO7.C10H8ClNO.C4H9NO3S.C4H9O.K.Li.H2O/c1-37(2,3)51-33(44)20-26-11-9-7-6-8-10-12-27-22-39(27,36(46)41-53(47,48)52-38(4)16-17-38)23-32(43)31-21-29(24-42(31)35(26)45)50-34-30-14-13-28(49-5)19-25(30)15-18-40-34;1-34(2,3)45-30(39)17-23-10-8-6-5-7-9-11-24-19-35(24,33(41)42)20-29(38)28-18-26(21-37(28)32(23)40)44-31-27-13-12-25(43-4)16-22(27)14-15-36-31;1-25(2,3)34-22(30)12-17-10-8-6-5-7-9-11-18-14-26(18,24(32)33-4)15-21(29)20-13-19(28)16-27(20)23(17)31;1-24(2,3)33-21(29)11-16-9-7-5-4-6-8-10-17-13-25(17,23(31)32)14-20(28)19-12-18(27)15-26(19)22(16)30;1-13-8-2-3-9-7(6-8)4-5-12-10(9)11;1-4(2-3-4)8-9(5,6)7;1-4(2,3)5;;;/h10,12-15,18-19,26-27,29,31H,6-9,11,16-17,20-24H2,1-5H3,(H,41,46);9,11-16,23-24,26,28H,5-8,10,17-21H2,1-4H3,(H,41,42);9,11,17-20,28H,5-8,10,12-16H2,1-4H3;8,10,16-19,27H,4-7,9,11-15H2,1-3H3,(H,31,32);2-6H,1H3;2-3H2,1H3,(H2,5,6,7);1-3H3;;;1H2/q;;;;;;-1;2*+1;/p-1/b12-10-;2*11-9-;10-8-;;;;;;/t26-,27-,29-,31+,39-;23-,24-,26-,28+,35-;17-,18-,19-,20+,26-;16-,17-,18-,19+,25-;;;;;;/m1111....../s1.
What are the key properties of lithium;potassium;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;1-chloro-6-methoxyisoquinoline;(1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1-methylcyclopropyl) sulfamate;methyl (1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate;2-methylpropan-2-olate;hydroxide?
lithium;potassium;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;1-chloro-6-methoxyisoquinoline;(1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1-methylcyclopropyl) sulfamate;methyl (1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate;2-methylpropan-2-olate;hydroxide has a molecular weight of 2796.81 g/mol, XLogP of 13.32, 24 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;1-chloro-6-methoxyisoquinoline;(1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1-methylcyclopropyl) sulfamate;methyl (1S,4R,6S,7Z,14R,18R)-18-hydroxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate;2-methylpropan-2-olate;hydroxide is sourced from PubChem (CID 158896232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).