About lithium;tert-butyl propanoate;3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylic acid;[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]boronic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylate;hydroxide
lithium;tert-butyl propanoate;3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylic acid;[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]boronic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylate;hydroxide (PubChem CID 158200855) has the molecular formula C160H177BBr2LiN17O21S4
and a molecular weight of 2980.10 g/mol. Its IUPAC name is lithium;tert-butyl propanoate;3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylic acid;[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]boronic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylate;hydroxide.
Frequently Asked Questions
What is the IUPAC name of lithium;tert-butyl propanoate;3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylic acid;[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]boronic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylate;hydroxide?
The IUPAC name of lithium;tert-butyl propanoate;3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylic acid;[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]boronic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylate;hydroxide (CID 158200855) is lithium;tert-butyl propanoate;3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylic acid;[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]boronic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylate;hydroxide.
What is the SMILES notation for lithium;tert-butyl propanoate;3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylic acid;[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]boronic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylate;hydroxide?
The canonical SMILES for lithium;tert-butyl propanoate;3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylic acid;[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]boronic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylate;hydroxide is CCC(=O)OC(C)(C)C.CNc1cc2nc(-c3sc(C)nc3C)ccc2cc1-c1c(C2CCCCC2)c2ccc(C(=O)OC)cc2n1CC(=O)OC(C)(C)C.CNc1cc2nc(-c3sc(C)nc3C)ccc2cc1B(O)O.COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(Br)n(CC(=O)OC(C)(C)C)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)Nc1cc2nc(-c4sc(C)nc4C)ccc2cc1-3.Cc1nc(C)c(-c2ccc3cc4c(cc3n2)NC(=O)Cn2c-4c(C3CCCCC3)c3ccc(C(=O)O)cc32)s1.[Li+].[OH-].
What is the InChIKey of lithium;tert-butyl propanoate;3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylic acid;[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]boronic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylate;hydroxide?
The InChIKey is GAXKXLOLNIMTBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C37H42N4O4S.C32H30N4O3S.C31H28N4O3S.C22H28BrNO4.C16H18BrNO2.C15H16BN3O2S.C7H14O2.Li.H2O/c1-21-35(46-22(2)39-21)28-16-14-24-17-27(30(38-6)19-29(24)40-28)34-33(23-11-9-8-10-12-23)26-15-13-25(36(43)44-7)18-31(26)41(34)20-32(42)45-37(3,4)5;1-17-31(40-18(2)33-17)24-12-10-20-13-23-26(15-25(20)34-24)35-28(37)16-36-27-14-21(32(38)39-3)9-11-22(27)29(30(23)36)19-7-5-4-6-8-19;1-16-30(39-17(2)32-16)23-11-9-19-12-22-25(14-24(19)33-23)34-27(36)15-35-26-13-20(31(37)38)8-10-21(26)28(29(22)35)18-6-4-3-5-7-18;1-22(2,3)28-18(25)13-24-17-12-15(21(26)27-4)10-11-16(17)19(20(24)23)14-8-6-5-7-9-14;1-20-16(19)11-7-8-12-13(9-11)18-15(17)14(12)10-5-3-2-4-6-10;1-8-15(22-9(2)18-8)12-5-4-10-6-11(16(20)21)14(17-3)7-13(10)19-12;1-5-6(8)9-7(2,3)4;;/h13-19,23,38H,8-12,20H2,1-7H3;9-15,19H,4-8,16H2,1-3H3,(H,35,37);8-14,18H,3-7,15H2,1-2H3,(H,34,36)(H,37,38);10-12,14H,5-9,13H2,1-4H3;7-10,18H,2-6H2,1H3;4-7,17,20-21H,1-3H3;5H2,1-4H3;;1H2/q;;;;;;;+1;/p-1.
What are the key properties of lithium;tert-butyl propanoate;3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylic acid;[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]boronic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylate;hydroxide?
lithium;tert-butyl propanoate;3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylic acid;[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]boronic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylate;hydroxide has a molecular weight of 2980.10 g/mol, XLogP of 34.10, 23 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;tert-butyl propanoate;3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylic acid;[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]boronic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(methylamino)quinolin-6-yl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate;methyl 3-cyclohexyl-18-(2,4-dimethyl-1,3-thiazol-5-yl)-12-oxo-10,13,17-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(14),2,4(9),5,7,15,17,19,21-nonaene-7-carboxylate;hydroxide is sourced from PubChem (CID 158200855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).