disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[[2-(3-fluoro-4,5-dihydroxyphenyl)-2-methyliminoacetyl]amino]methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-azabicyclo[2.2.2]octan-4-ylmethanamine;N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetamide;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetic acid;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetate;methanamine;methane;[(4S,6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylchloranium;hydrochloride

C160H188Cl2F4N17Na2O36S4+ — CID 172939501

About disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[[2-(3-fluoro-4,5-dihydroxyphenyl)-2-methyliminoacetyl]amino]methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-azabicyclo[2.2.2]octan-4-ylmethanamine;N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetamide;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetic acid;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetate;methanamine;methane;[(4S,6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylchloranium;hydrochloride

disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[[2-(3-fluoro-4,5-dihydroxyphenyl)-2-methyliminoacetyl]amino]methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-azabicyclo[2.2.2]octan-4-ylmethanamine;N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetamide;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetic acid;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetate;methanamine;methane;[(4S,6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylchloranium;hydrochloride (PubChem CID 172939501) has the molecular formula C160H188Cl2F4N17Na2O36S4+ and a molecular weight of 3246.49 g/mol. Its IUPAC name is disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[[2-(3-fluoro-4,5-dihydroxyphenyl)-2-methyliminoacetyl]amino]methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-azabicyclo[2.2.2]octan-4-ylmethanamine;N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetamide;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetic acid;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetate;methanamine;methane;[(4S,6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylchloranium;hydrochloride.

Molecular Properties

• Compound Name: disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[[2-(3-fluoro-4,5-dihydroxyphenyl)-2-methyliminoacetyl]amino]methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-azabicyclo[2.2.2]octan-4-ylmethanamine;N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetamide;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetic acid;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetate;methanamine;methane;[(4S,6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylchloranium;hydrochloride
• PubChem CID: 172939501
• Molecular Formula: C160H188Cl2F4N17Na2O36S4+
• Molecular Weight: 3246.49 g/mol
• Exact Mass: 3243.14
• IUPAC Name: disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[[2-(3-fluoro-4,5-dihydroxyphenyl)-2-methyliminoacetyl]amino]methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-azabicyclo[2.2.2]octan-4-ylmethanamine;N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetamide;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetic acid;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetate;methanamine;methane;[(4S,6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylchloranium;hydrochloride
• SMILES: C.C/N=C(/C(=O)NCC12CCN(CC1)CC2)c1cc(F)c(OCc2ccc(OC)cc2)c(OCc2ccc(OC)cc2)c1.C/N=C(/C(=O)NCC12CC[N+](CC3=C(C(=O)[O-])N4C(=O)[C@@H](CC(=O)/C(=N\OC(C)(C)C(=O)[O-])c5csc(N)n5)[C@H]4S[C@H]3C)(CC1)CC2)c1cc(O)c(O)c(F)c1.C/N=C(\C(=O)O)c1cc(F)c(OCc2ccc(OC)cc2)c(OCc2ccc(OC)cc2)c1.CN.COc1ccc(COC(=O)C2=C(C[ClH+])[C@H](C)S[C@@H]3[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c4csc(C)n4)C(=O)N23)cc1.COc1ccc(COc2cc(C(=O)C(=O)[O-])cc(F)c2OCc2ccc(OC)cc2)cc1.Cl.NCC12CCN(CC1)CC2.[Na+].[Na+]
• InChI: InChI=1S/C36H42FN7O10S2.C33H38FN3O5.C32H39ClN3O8S2.C25H24FNO6.C24H21FO7.C8H16N2.CH5N.CH4.ClH.2Na/c1-17-20(14-44-8-5-36(6-9-44,7-10-44)16-40-29(48)25(39-4)18-11-21(37)28(47)24(46)12-18)27(32(50)51)43-30(49)19(31(43)56-17)13-23(45)26(22-15-55-34(38)41-22)42-54-35(2,3)33(52)53;1-35-30(32(38)36-22-33-12-15-37(16-13-33)17-14-33)25-18-28(34)31(42-21-24-6-10-27(40-3)11-7-24)29(19-25)41-20-23-4-8-26(39-2)9-5-23;1-17-22(14-33)26(29(39)42-15-19-9-11-20(41-8)12-10-19)36-27(38)21(28(36)46-17)13-24(37)25(23-16-45-18(2)34-23)35-44-32(6,7)30(40)43-31(3,4)5;1-27-23(25(28)29)18-12-21(26)24(33-15-17-6-10-20(31-3)11-7-17)22(13-18)32-14-16-4-8-19(30-2)9-5-16;1-29-18-7-3-15(4-8-18)13-31-21-12-17(22(26)24(27)28)11-20(25)23(21)32-14-16-5-9-19(30-2)10-6-16;9-7-8-1-4-10(5-2-8)6-3-8;1-2;;;;/h11-12,15,17,19,31H,5-10,13-14,16H2,1-4H3,(H6-,38,39,40,41,42,45,46,47,48,50,51,52,53);4-11,18-19H,12-17,20-22H2,1-3H3,(H,36,38);9-12,16-17,21,28,33H,13-15H2,1-8H3;4-13H,14-15H2,1-3H3,(H,28,29);3-12H,13-14H2,1-2H3,(H,27,28);1-7,9H2;2H2,1H3;1H4;1H;;/q;;+1;;;;;;;2*+1/p-2/b;35-30+;35-25-;27-23-;;;;;;;/t17-,19+,31+,36?,44?;;17-,21+,28+;;;;;;;;/m0.0......../s1
• InChIKey: HCOCHUDEIVYARW-JMVPNRKZSA-L
• XLogP: 11.63
• TPSA: 711.35 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 51
• Rotatable Bonds: 59
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3246.49
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[[2-(3-fluoro-4,5-dihydroxyphenyl)-2-methyliminoacetyl]amino]methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-azabicyclo[2.2.2]octan-4-ylmethanamine;N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetamide;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetic acid;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetate;methanamine;methane;[(4S,6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylchloranium;hydrochloride?

The IUPAC name of disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[[2-(3-fluoro-4,5-dihydroxyphenyl)-2-methyliminoacetyl]amino]methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-azabicyclo[2.2.2]octan-4-ylmethanamine;N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetamide;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetic acid;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetate;methanamine;methane;[(4S,6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylchloranium;hydrochloride (CID 172939501) is disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[[2-(3-fluoro-4,5-dihydroxyphenyl)-2-methyliminoacetyl]amino]methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-azabicyclo[2.2.2]octan-4-ylmethanamine;N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetamide;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetic acid;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetate;methanamine;methane;[(4S,6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylchloranium;hydrochloride.

What is the SMILES notation for disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[[2-(3-fluoro-4,5-dihydroxyphenyl)-2-methyliminoacetyl]amino]methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-azabicyclo[2.2.2]octan-4-ylmethanamine;N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetamide;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetic acid;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetate;methanamine;methane;[(4S,6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylchloranium;hydrochloride?

The canonical SMILES for disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[[2-(3-fluoro-4,5-dihydroxyphenyl)-2-methyliminoacetyl]amino]methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-azabicyclo[2.2.2]octan-4-ylmethanamine;N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetamide;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetic acid;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetate;methanamine;methane;[(4S,6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylchloranium;hydrochloride is C.C/N=C(/C(=O)NCC12CCN(CC1)CC2)c1cc(F)c(OCc2ccc(OC)cc2)c(OCc2ccc(OC)cc2)c1.C/N=C(/C(=O)NCC12CC[N+](CC3=C(C(=O)[O-])N4C(=O)[C@@H](CC(=O)/C(=N\OC(C)(C)C(=O)[O-])c5csc(N)n5)[C@H]4S[C@H]3C)(CC1)CC2)c1cc(O)c(O)c(F)c1.C/N=C(\C(=O)O)c1cc(F)c(OCc2ccc(OC)cc2)c(OCc2ccc(OC)cc2)c1.CN.COc1ccc(COC(=O)C2=C(C[ClH+])[C@H](C)S[C@@H]3[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c4csc(C)n4)C(=O)N23)cc1.COc1ccc(COc2cc(C(=O)C(=O)[O-])cc(F)c2OCc2ccc(OC)cc2)cc1.Cl.NCC12CCN(CC1)CC2.[Na+].[Na+].

What is the InChIKey of disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[[2-(3-fluoro-4,5-dihydroxyphenyl)-2-methyliminoacetyl]amino]methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-azabicyclo[2.2.2]octan-4-ylmethanamine;N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetamide;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetic acid;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetate;methanamine;methane;[(4S,6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylchloranium;hydrochloride?

The InChIKey is HCOCHUDEIVYARW-JMVPNRKZSA-L. The full InChI is InChI=1S/C36H42FN7O10S2.C33H38FN3O5.C32H39ClN3O8S2.C25H24FNO6.C24H21FO7.C8H16N2.CH5N.CH4.ClH.2Na/c1-17-20(14-44-8-5-36(6-9-44,7-10-44)16-40-29(48)25(39-4)18-11-21(37)28(47)24(46)12-18)27(32(50)51)43-30(49)19(31(43)56-17)13-23(45)26(22-15-55-34(38)41-22)42-54-35(2,3)33(52)53;1-35-30(32(38)36-22-33-12-15-37(16-13-33)17-14-33)25-18-28(34)31(42-21-24-6-10-27(40-3)11-7-24)29(19-25)41-20-23-4-8-26(39-2)9-5-23;1-17-22(14-33)26(29(39)42-15-19-9-11-20(41-8)12-10-19)36-27(38)21(28(36)46-17)13-24(37)25(23-16-45-18(2)34-23)35-44-32(6,7)30(40)43-31(3,4)5;1-27-23(25(28)29)18-12-21(26)24(33-15-17-6-10-20(31-3)11-7-17)22(13-18)32-14-16-4-8-19(30-2)9-5-16;1-29-18-7-3-15(4-8-18)13-31-21-12-17(22(26)24(27)28)11-20(25)23(21)32-14-16-5-9-19(30-2)10-6-16;9-7-8-1-4-10(5-2-8)6-3-8;1-2;;;;/h11-12,15,17,19,31H,5-10,13-14,16H2,1-4H3,(H6-,38,39,40,41,42,45,46,47,48,50,51,52,53);4-11,18-19H,12-17,20-22H2,1-3H3,(H,36,38);9-12,16-17,21,28,33H,13-15H2,1-8H3;4-13H,14-15H2,1-3H3,(H,28,29);3-12H,13-14H2,1-2H3,(H,27,28);1-7,9H2;2H2,1H3;1H4;1H;;/q;;+1;;;;;;;2*+1/p-2/b;35-30+;35-25-;27-23-;;;;;;;/t17-,19+,31+,36?,44?;;17-,21+,28+;;;;;;;;/m0.0......../s1.

What are the key properties of disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[[2-(3-fluoro-4,5-dihydroxyphenyl)-2-methyliminoacetyl]amino]methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-azabicyclo[2.2.2]octan-4-ylmethanamine;N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetamide;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetic acid;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetate;methanamine;methane;[(4S,6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylchloranium;hydrochloride?

disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[[2-(3-fluoro-4,5-dihydroxyphenyl)-2-methyliminoacetyl]amino]methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-azabicyclo[2.2.2]octan-4-ylmethanamine;N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetamide;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetic acid;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetate;methanamine;methane;[(4S,6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylchloranium;hydrochloride has a molecular weight of 3246.49 g/mol, XLogP of 11.63, 59 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[[2-(3-fluoro-4,5-dihydroxyphenyl)-2-methyliminoacetyl]amino]methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-azabicyclo[2.2.2]octan-4-ylmethanamine;N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetamide;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methyliminoacetic acid;2-[3-fluoro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetate;methanamine;methane;[(4S,6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylchloranium;hydrochloride is sourced from PubChem (CID 172939501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).