sodium;6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ditert-butyl chloromethyl phosphate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydroxide

C153H177ClF4N30NaO27P3 — CID 162017313

About sodium;6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ditert-butyl chloromethyl phosphate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydroxide

sodium;6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ditert-butyl chloromethyl phosphate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydroxide (PubChem CID 162017313) has the molecular formula C153H177ClF4N30NaO27P3 and a molecular weight of 3095.64 g/mol. Its IUPAC name is sodium;6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ditert-butyl chloromethyl phosphate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydroxide.

Molecular Properties

• Compound Name: sodium;6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ditert-butyl chloromethyl phosphate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydroxide
• PubChem CID: 162017313
• Molecular Formula: C153H177ClF4N30NaO27P3
• Molecular Weight: 3095.64 g/mol
• Exact Mass: 3093.21
• IUPAC Name: sodium;6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ditert-butyl chloromethyl phosphate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydroxide
• SMILES: C.CC(C)(C)OP(=O)(OCCl)OC(C)(C)C.[C-]#[N+]c1c(F)cc(N(C)C(=O)OC(C)(C)C)c2c1-c1c(ncc(-c3cnc4c(c3)c(=O)c(C(=O)OCC)cn4C)c1N1CC[C@H]3CN(C)C[C@H]31)C2.[C-]#[N+]c1c(F)cc(NC)c2c1-c1c(ncc(-c3cnc4c(c3)c(=O)c(C(=O)OCC)cn4C)c1N1CC[C@H]3CN(C)C[C@H]31)C2.[C-]#[N+]c1c(F)cc(NC)c2nc3n(COP(=O)(O)OC(C)(C)C)cc(-c4cnc5c(c4)c(=O)c(C(=O)O)cn5C)c(N4CC[C@H]5CN(C)C[C@H]54)c-3c12.[C-]#[N+]c1c(F)cc(NC)c2nc3n(COP(=O)(O)OC(C)(C)C)cc(-c4cnc5c(c4)c(=O)c(C(=O)OCC)cn5C)c(N4CC[C@H]5CN(C)C[C@H]54)c-3c12.[Na+].[OH-]
• InChI: InChI=1S/C38H40FN7O5.C37H42FN8O7P.C35H38FN8O7P.C33H32FN7O3.C9H20ClO4P.CH4.Na.H2O/c1-9-50-36(48)25-18-44(7)35-23(34(25)47)12-21(15-42-35)24-16-41-27-13-22-28(45(8)37(49)51-38(2,3)4)14-26(39)32(40-5)30(22)31(27)33(24)46-11-10-20-17-43(6)19-29(20)46;1-9-51-36(48)24-16-44(8)34-22(33(24)47)12-21(14-41-34)23-17-45(19-52-54(49,50)53-37(2,3)4)35-29(32(23)46-11-10-20-15-43(7)18-27(20)46)28-30(40-6)25(38)13-26(39-5)31(28)42-35;1-35(2,3)51-52(48,49)50-17-43-15-21(19-10-20-31(45)22(34(46)47)14-42(7)32(20)39-12-19)30(44-9-8-18-13-41(6)16-25(18)44)27-26-28(38-5)23(36)11-24(37-4)29(26)40-33(27)43;1-6-44-33(43)22-15-40(5)32-20(31(22)42)9-18(12-38-32)21-13-37-25-10-19-24(35-2)11-23(34)29(36-3)27(19)28(25)30(21)41-8-7-17-14-39(4)16-26(17)41;1-8(2,3)13-15(11,12-7-10)14-9(4,5)6;;;/h12,14-16,18,20,29H,9-11,13,17,19H2,1-4,6-8H3;12-14,16-17,20,27,39H,9-11,15,18-19H2,1-5,7-8H3,(H,49,50);10-12,14-15,18,25,37H,8-9,13,16-17H2,1-4,6-7H3,(H,46,47)(H,48,49);9,11-13,15,17,26,35H,6-8,10,14,16H2,1-2,4-5H3;7H2,1-6H3;1H4;;1H2/q;;;;;;+1;/p-1/t20-,29+;20-,27+;18-,25+;17-,26+;;;;/m0000..../s1
• InChIKey: YUGXPVVWIMFURX-SWUQIOAISA-M
• XLogP: 23.47
• TPSA: 612.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 49
• Rotatable Bonds: 31
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3095.64
LogP ≤ 5	23.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ditert-butyl chloromethyl phosphate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydroxide?

The IUPAC name of sodium;6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ditert-butyl chloromethyl phosphate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydroxide (CID 162017313) is sodium;6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ditert-butyl chloromethyl phosphate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydroxide.

What is the SMILES notation for sodium;6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ditert-butyl chloromethyl phosphate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydroxide?

The canonical SMILES for sodium;6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ditert-butyl chloromethyl phosphate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydroxide is C.CC(C)(C)OP(=O)(OCCl)OC(C)(C)C.[C-]#[N+]c1c(F)cc(N(C)C(=O)OC(C)(C)C)c2c1-c1c(ncc(-c3cnc4c(c3)c(=O)c(C(=O)OCC)cn4C)c1N1CC[C@H]3CN(C)C[C@H]31)C2.[C-]#[N+]c1c(F)cc(NC)c2c1-c1c(ncc(-c3cnc4c(c3)c(=O)c(C(=O)OCC)cn4C)c1N1CC[C@H]3CN(C)C[C@H]31)C2.[C-]#[N+]c1c(F)cc(NC)c2nc3n(COP(=O)(O)OC(C)(C)C)cc(-c4cnc5c(c4)c(=O)c(C(=O)O)cn5C)c(N4CC[C@H]5CN(C)C[C@H]54)c-3c12.[C-]#[N+]c1c(F)cc(NC)c2nc3n(COP(=O)(O)OC(C)(C)C)cc(-c4cnc5c(c4)c(=O)c(C(=O)OCC)cn5C)c(N4CC[C@H]5CN(C)C[C@H]54)c-3c12.[Na+].[OH-].

What is the InChIKey of sodium;6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ditert-butyl chloromethyl phosphate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydroxide?

The InChIKey is YUGXPVVWIMFURX-SWUQIOAISA-M. The full InChI is InChI=1S/C38H40FN7O5.C37H42FN8O7P.C35H38FN8O7P.C33H32FN7O3.C9H20ClO4P.CH4.Na.H2O/c1-9-50-36(48)25-18-44(7)35-23(34(25)47)12-21(15-42-35)24-16-41-27-13-22-28(45(8)37(49)51-38(2,3)4)14-26(39)32(40-5)30(22)31(27)33(24)46-11-10-20-17-43(6)19-29(20)46;1-9-51-36(48)24-16-44(8)34-22(33(24)47)12-21(14-41-34)23-17-45(19-52-54(49,50)53-37(2,3)4)35-29(32(23)46-11-10-20-15-43(7)18-27(20)46)28-30(40-6)25(38)13-26(39-5)31(28)42-35;1-35(2,3)51-52(48,49)50-17-43-15-21(19-10-20-31(45)22(34(46)47)14-42(7)32(20)39-12-19)30(44-9-8-18-13-41(6)16-25(18)44)27-26-28(38-5)23(36)11-24(37-4)29(26)40-33(27)43;1-6-44-33(43)22-15-40(5)32-20(31(22)42)9-18(12-38-32)21-13-37-25-10-19-24(35-2)11-23(34)29(36-3)27(19)28(25)30(21)41-8-7-17-14-39(4)16-26(17)41;1-8(2,3)13-15(11,12-7-10)14-9(4,5)6;;;/h12,14-16,18,20,29H,9-11,13,17,19H2,1-4,6-8H3;12-14,16-17,20,27,39H,9-11,15,18-19H2,1-5,7-8H3,(H,49,50);10-12,14-15,18,25,37H,8-9,13,16-17H2,1-4,6-7H3,(H,46,47)(H,48,49);9,11-13,15,17,26,35H,6-8,10,14,16H2,1-2,4-5H3;7H2,1-6H3;1H4;;1H2/q;;;;;;+1;/p-1/t20-,29+;20-,27+;18-,25+;17-,26+;;;;/m0000..../s1.

What are the key properties of sodium;6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ditert-butyl chloromethyl phosphate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydroxide?

sodium;6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ditert-butyl chloromethyl phosphate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydroxide has a molecular weight of 3095.64 g/mol, XLogP of 23.47, 31 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ditert-butyl chloromethyl phosphate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl]-5-isocyano-8-(methylamino)pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-5-isocyano-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydroxide is sourced from PubChem (CID 162017313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).