magnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide

C104H110Br2F12K2MgN12O39S — CID 160634846

IUPACmagnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide
SMILESCOC(=O)c1c(OC)c(=O)c(C(=O)NCc2c(F)cc(F)cc2F)cn1CC(O)O.COC(=O)c1c(OC)c(=O)c(C(=O)NCc2c(F)cc(F)cc2F)cn1CC(OC)OC.COC(=O)c1c(OC)c(=O)c(C(=O)O)cn1CC(OC)OC.COc1c2n(cc(C(=O)NCc3c(F)cc(F)cc3F)c1=O)CC1O[C@@H]3C[C@@H]([C@H]4C[C@H]43)N1C2=O.CS(=O)(=O)O.N[C@H]1C[C@@H](O)[C@@H]2C[C@@H]21.O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1C(C2)O[C@@H]2C[C@H]1[C@H]1C[C@H]12.O=CO[O-].[Br-].[Br-].[H-].[K+].[K+].[Mg+2]
InChIInChI=1S/C23H20F3N3O5.C22H18F3N3O5.C20H21F3N2O7.C18H17F3N2O7.C13H17NO8.C6H11NO.CH4O3S.CH2O3.2BrH.2K.Mg.H/c1-33-21-19-23(32)29-16-5-17(11-4-10(11)16)34-18(29)8-28(19)7-13(20(21)30)22(31)27-6-12-14(25)2-9(24)3-15(12)26;23-8-1-13(24)11(14(25)2-8)5-26-21(31)12-6-27-7-17-28(22(32)18(27)20(30)19(12)29)15-4-16(33-17)10-3-9(10)15;1-29-15(30-2)9-25-8-12(17(26)18(31-3)16(25)20(28)32-4)19(27)24-7-11-13(22)5-10(21)6-14(11)23;1-29-16-14(18(28)30-2)23(7-13(24)25)6-10(15(16)26)17(27)22-5-9-11(20)3-8(19)4-12(9)21;1-19-8(20-2)6-14-5-7(12(16)17)10(15)11(21-3)9(14)13(18)22-4;7-5-2-6(8)4-1-3(4)5;1-5(2,3)4;2-1-4-3;;;;;;/h2-3,7,10-11,16-18H,4-6,8H2,1H3,(H,27,31);1-2,6,9-10,15-17,30H,3-5,7H2,(H,26,31);5-6,8,15H,7,9H2,1-4H3,(H,24,27);3-4,6,13,24-25H,5,7H2,1-2H3,(H,22,27);5,8H,6H2,1-4H3,(H,16,17);3-6,8H,1-2,7H2;1H3,(H,2,3,4);1,3H;2*1H;;;;/q;;;;;;;;;;2*+1;+2;-1/p-3/t10-,11+,16-,17+,18?;9-,10+,15-,16+,17?;;;;3-,4+,5-,6+;;;;;;;;/m00...0......../s1
InChIKeyWHGQNOZUCKCOSC-SFSBCPOXSA-K
MW2674.42 g/mol
LogP-9.44
Rot. Bonds31

About magnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide

magnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide (PubChem CID 160634846) has the molecular formula C104H110Br2F12K2MgN12O39S and a molecular weight of 2674.42 g/mol. Its IUPAC name is magnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide.

Molecular Properties

Compound Namemagnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide
PubChem CID160634846
Molecular FormulaC104H110Br2F12K2MgN12O39S
Molecular Weight2674.42 g/mol
Exact Mass2670.40
IUPAC Namemagnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide
SMILESCOC(=O)c1c(OC)c(=O)c(C(=O)NCc2c(F)cc(F)cc2F)cn1CC(O)O.COC(=O)c1c(OC)c(=O)c(C(=O)NCc2c(F)cc(F)cc2F)cn1CC(OC)OC.COC(=O)c1c(OC)c(=O)c(C(=O)O)cn1CC(OC)OC.COc1c2n(cc(C(=O)NCc3c(F)cc(F)cc3F)c1=O)CC1O[C@@H]3C[C@@H]([C@H]4C[C@H]43)N1C2=O.CS(=O)(=O)O.N[C@H]1C[C@@H](O)[C@@H]2C[C@@H]21.O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1C(C2)O[C@@H]2C[C@H]1[C@H]1C[C@H]12.O=CO[O-].[Br-].[Br-].[H-].[K+].[K+].[Mg+2]
InChIInChI=1S/C23H20F3N3O5.C22H18F3N3O5.C20H21F3N2O7.C18H17F3N2O7.C13H17NO8.C6H11NO.CH4O3S.CH2O3.2BrH.2K.Mg.H/c1-33-21-19-23(32)29-16-5-17(11-4-10(11)16)34-18(29)8-28(19)7-13(20(21)30)22(31)27-6-12-14(25)2-9(24)3-15(12)26;23-8-1-13(24)11(14(25)2-8)5-26-21(31)12-6-27-7-17-28(22(32)18(27)20(30)19(12)29)15-4-16(33-17)10-3-9(10)15;1-29-15(30-2)9-25-8-12(17(26)18(31-3)16(25)20(28)32-4)19(27)24-7-11-13(22)5-10(21)6-14(11)23;1-29-16-14(18(28)30-2)23(7-13(24)25)6-10(15(16)26)17(27)22-5-9-11(20)3-8(19)4-12(9)21;1-19-8(20-2)6-14-5-7(12(16)17)10(15)11(21-3)9(14)13(18)22-4;7-5-2-6(8)4-1-3(4)5;1-5(2,3)4;2-1-4-3;;;;;;/h2-3,7,10-11,16-18H,4-6,8H2,1H3,(H,27,31);1-2,6,9-10,15-17,30H,3-5,7H2,(H,26,31);5-6,8,15H,7,9H2,1-4H3,(H,24,27);3-4,6,13,24-25H,5,7H2,1-2H3,(H,22,27);5,8H,6H2,1-4H3,(H,16,17);3-6,8H,1-2,7H2;1H3,(H,2,3,4);1,3H;2*1H;;;;/q;;;;;;;;;;2*+1;+2;-1/p-3/t10-,11+,16-,17+,18?;9-,10+,15-,16+,17?;;;;3-,4+,5-,6+;;;;;;;;/m00...0......../s1
InChIKeyWHGQNOZUCKCOSC-SFSBCPOXSA-K
XLogP-9.44
TPSA686.19 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds31
Heavy Atoms173
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002674.42
LogP ≤ 5-9.44
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze magnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide?
The IUPAC name of magnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide (CID 160634846) is magnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide.
What is the SMILES notation for magnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide?
The canonical SMILES for magnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide is COC(=O)c1c(OC)c(=O)c(C(=O)NCc2c(F)cc(F)cc2F)cn1CC(O)O.COC(=O)c1c(OC)c(=O)c(C(=O)NCc2c(F)cc(F)cc2F)cn1CC(OC)OC.COC(=O)c1c(OC)c(=O)c(C(=O)O)cn1CC(OC)OC.COc1c2n(cc(C(=O)NCc3c(F)cc(F)cc3F)c1=O)CC1O[C@@H]3C[C@@H]([C@H]4C[C@H]43)N1C2=O.CS(=O)(=O)O.N[C@H]1C[C@@H](O)[C@@H]2C[C@@H]21.O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1C(C2)O[C@@H]2C[C@H]1[C@H]1C[C@H]12.O=CO[O-].[Br-].[Br-].[H-].[K+].[K+].[Mg+2].
What is the InChIKey of magnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide?
The InChIKey is WHGQNOZUCKCOSC-SFSBCPOXSA-K. The full InChI is InChI=1S/C23H20F3N3O5.C22H18F3N3O5.C20H21F3N2O7.C18H17F3N2O7.C13H17NO8.C6H11NO.CH4O3S.CH2O3.2BrH.2K.Mg.H/c1-33-21-19-23(32)29-16-5-17(11-4-10(11)16)34-18(29)8-28(19)7-13(20(21)30)22(31)27-6-12-14(25)2-9(24)3-15(12)26;23-8-1-13(24)11(14(25)2-8)5-26-21(31)12-6-27-7-17-28(22(32)18(27)20(30)19(12)29)15-4-16(33-17)10-3-9(10)15;1-29-15(30-2)9-25-8-12(17(26)18(31-3)16(25)20(28)32-4)19(27)24-7-11-13(22)5-10(21)6-14(11)23;1-29-16-14(18(28)30-2)23(7-13(24)25)6-10(15(16)26)17(27)22-5-9-11(20)3-8(19)4-12(9)21;1-19-8(20-2)6-14-5-7(12(16)17)10(15)11(21-3)9(14)13(18)22-4;7-5-2-6(8)4-1-3(4)5;1-5(2,3)4;2-1-4-3;;;;;;/h2-3,7,10-11,16-18H,4-6,8H2,1H3,(H,27,31);1-2,6,9-10,15-17,30H,3-5,7H2,(H,26,31);5-6,8,15H,7,9H2,1-4H3,(H,24,27);3-4,6,13,24-25H,5,7H2,1-2H3,(H,22,27);5,8H,6H2,1-4H3,(H,16,17);3-6,8H,1-2,7H2;1H3,(H,2,3,4);1,3H;2*1H;;;;/q;;;;;;;;;;2*+1;+2;-1/p-3/t10-,11+,16-,17+,18?;9-,10+,15-,16+,17?;;;;3-,4+,5-,6+;;;;;;;;/m00...0......../s1.
What are the key properties of magnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide?
magnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide has a molecular weight of 2674.42 g/mol, XLogP of -9.44, 31 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dipotassium;(1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexan-2-ol;1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid;hydride;(1S,13R,14R,16S)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methanesulfonic acid;(1S,13R,14R,16S)-5-methoxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazapentacyclo[11.3.1.02,11.04,9.014,16]heptadeca-4,7-diene-7-carboxamide;methyl 1-(2,2-dihydroxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxo-5-[(2,4,6-trifluorophenyl)methylcarbamoyl]pyridine-2-carboxylate;oxido formate;dibromide is sourced from PubChem (CID 160634846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).