disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[(4-chloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)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;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[(8-chloro-6,7-dihydroxy-1,4-dioxo-3H-phthalazin-2-yl)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;bis(2-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)-4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione);bis(3-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-8-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-2H-phthalazine-1,4-dione);1-azabicyclo[2.2.2]octan-4-ylmethylhydrazine;carbanide;4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]-2-benzofuran-1,3-dione;methane;(4-methoxyphenyl)methyl (4S,6R,7R)-3-(iodomethyl)-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;molecular chlorine

C269H302Cl9IN33Na2O63S6- — CID 172960110

About disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[(4-chloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)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;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[(8-chloro-6,7-dihydroxy-1,4-dioxo-3H-phthalazin-2-yl)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;bis(2-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)-4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione);bis(3-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-8-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-2H-phthalazine-1,4-dione);1-azabicyclo[2.2.2]octan-4-ylmethylhydrazine;carbanide;4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]-2-benzofuran-1,3-dione;methane;(4-methoxyphenyl)methyl (4S,6R,7R)-3-(iodomethyl)-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;molecular chlorine

disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[(4-chloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)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;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[(8-chloro-6,7-dihydroxy-1,4-dioxo-3H-phthalazin-2-yl)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;bis(2-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)-4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione);bis(3-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-8-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-2H-phthalazine-1,4-dione);1-azabicyclo[2.2.2]octan-4-ylmethylhydrazine;carbanide;4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]-2-benzofuran-1,3-dione;methane;(4-methoxyphenyl)methyl (4S,6R,7R)-3-(iodomethyl)-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;molecular chlorine (PubChem CID 172960110) has the molecular formula C269H302Cl9IN33Na2O63S6- and a molecular weight of 5689.91 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-[[(4-chloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)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;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[(8-chloro-6,7-dihydroxy-1,4-dioxo-3H-phthalazin-2-yl)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;bis(2-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)-4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione);bis(3-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-8-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-2H-phthalazine-1,4-dione);1-azabicyclo[2.2.2]octan-4-ylmethylhydrazine;carbanide;4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]-2-benzofuran-1,3-dione;methane;(4-methoxyphenyl)methyl (4S,6R,7R)-3-(iodomethyl)-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;molecular chlorine.

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-[[(4-chloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)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;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[(8-chloro-6,7-dihydroxy-1,4-dioxo-3H-phthalazin-2-yl)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;bis(2-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)-4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione);bis(3-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-8-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-2H-phthalazine-1,4-dione);1-azabicyclo[2.2.2]octan-4-ylmethylhydrazine;carbanide;4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]-2-benzofuran-1,3-dione;methane;(4-methoxyphenyl)methyl (4S,6R,7R)-3-(iodomethyl)-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;molecular chlorine
• PubChem CID: 172960110
• Molecular Formula: C269H302Cl9IN33Na2O63S6-
• Molecular Weight: 5689.91 g/mol
• Exact Mass: 5681.58
• 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-[[(4-chloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)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;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[(8-chloro-6,7-dihydroxy-1,4-dioxo-3H-phthalazin-2-yl)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;bis(2-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)-4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione);bis(3-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-8-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-2H-phthalazine-1,4-dione);1-azabicyclo[2.2.2]octan-4-ylmethylhydrazine;carbanide;4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]-2-benzofuran-1,3-dione;methane;(4-methoxyphenyl)methyl (4S,6R,7R)-3-(iodomethyl)-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;molecular chlorine
• SMILES: C.C.COc1ccc(COC(=O)C2=C(CI)[C@H](C)S[C@@H]3[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c4csc(NC(=O)OC(C)(C)C)n4)C(=O)N23)cc1.COc1ccc(COc2cc3c(=O)n(CC45CCN(CC4)CC5)[nH]c(=O)c3c(Cl)c2OCc2ccc(OC)cc2)cc1.COc1ccc(COc2cc3c(=O)n(CC45CCN(CC4)CC5)[nH]c(=O)c3c(Cl)c2OCc2ccc(OC)cc2)cc1.COc1ccc(COc2cc3c(c(Cl)c2OCc2ccc(OC)cc2)C(=O)N(NCC24CCN(CC2)CC4)C3=O)cc1.COc1ccc(COc2cc3c(c(Cl)c2OCc2ccc(OC)cc2)C(=O)N(NCC24CCN(CC2)CC4)C3=O)cc1.COc1ccc(COc2cc3c(c(Cl)c2OCc2ccc(OC)cc2)C(=O)OC3=O)cc1.C[C@@H]1S[C@@H]2[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)[O-])c3csc(N)n3)C(=O)N2C(C(=O)[O-])=C1C[N+]12CCC(CNN3C(=O)c4cc(O)c(O)c(Cl)c4C3=O)(CC1)CC2.C[C@@H]1S[C@@H]2[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)[O-])c3csc(N)n3)C(=O)N2C(C(=O)[O-])=C1C[N+]12CCC(Cn3[nH]c(=O)c4cc(O)c(O)c(Cl)c4c3=O)(CC1)CC2.ClCl.NNCC12CCN(CC1)CC2.[CH3-].[Na+].[Na+]
• InChI: InChI=1S/C36H45IN4O10S2.2C35H38ClN7O11S2.4C32H34ClN3O6.C24H19ClO7.C8H17N3.2CH4.CH3.Cl2.2Na/c1-19-23(16-37)27(30(44)48-17-20-11-13-21(47-10)14-12-20)41-28(43)22(29(41)53-19)15-25(42)26(40-51-36(8,9)31(45)49-34(2,3)4)24-18-52-32(38-24)39-33(46)50-35(5,6)7;1-15-18(12-43-7-4-35(5-8-43,6-9-43)14-38-42-28(48)16-10-21(45)26(46)23(36)22(16)29(42)49)25(31(50)51)41-27(47)17(30(41)56-15)11-20(44)24(19-13-55-33(37)39-19)40-54-34(2,3)32(52)53;1-15-18(12-43-7-4-35(5-8-43,6-9-43)14-41-29(49)22-16(27(47)39-41)10-21(45)26(46)23(22)36)25(31(50)51)42-28(48)17(30(42)56-15)11-20(44)24(19-13-55-33(37)38-19)40-54-34(2,3)32(52)53;2*1-39-23-7-3-21(4-8-23)18-41-26-17-25-27(28(33)29(26)42-19-22-5-9-24(40-2)10-6-22)30(37)34-36(31(25)38)20-32-11-14-35(15-12-32)16-13-32;2*1-39-23-7-3-21(4-8-23)18-41-26-17-25-27(28(33)29(26)42-19-22-5-9-24(40-2)10-6-22)31(38)36(30(25)37)34-20-32-11-14-35(15-12-32)16-13-32;1-28-16-7-3-14(4-8-16)12-30-19-11-18-20(24(27)32-23(18)26)21(25)22(19)31-13-15-5-9-17(29-2)10-6-15;9-10-7-8-1-4-11(5-2-8)6-3-8;;;;1-2;;/h11-14,18-19,22,29H,15-17H2,1-10H3,(H,38,39,46);10,13,15,17,30,38H,4-9,11-12,14H2,1-3H3,(H5-,37,39,40,44,45,46,48,49,50,51,52,53);10,13,15,17,30H,4-9,11-12,14H2,1-3H3,(H6-,37,38,39,40,44,45,46,47,49,50,51,52,53);2*3-10,17H,11-16,18-20H2,1-2H3,(H,34,37);2*3-10,17,34H,11-16,18-20H2,1-2H3;3-11H,12-13H2,1-2H3;10H,1-7,9H2;2*1H4;1H3;;;/q;;;;;;;;;;;-1;;2*+1/p-2/b40-26-;;;;;;;;;;;;;;/t19-,22+,29+;2*15-,17+,30+,35?,43?;;;;;;;;;;;;/m000............/s1
• InChIKey: XDOKQSAZDIYPOW-DUFIOATMSA-L
• XLogP: 28.08
• TPSA: 1204.25 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 90
• Rotatable Bonds: 90
• Heavy Atoms: 383
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5689.91
LogP ≤ 5	28.08
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	90

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-[[(4-chloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)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;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[(8-chloro-6,7-dihydroxy-1,4-dioxo-3H-phthalazin-2-yl)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;bis(2-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)-4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione);bis(3-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-8-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-2H-phthalazine-1,4-dione);1-azabicyclo[2.2.2]octan-4-ylmethylhydrazine;carbanide;4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]-2-benzofuran-1,3-dione;methane;(4-methoxyphenyl)methyl (4S,6R,7R)-3-(iodomethyl)-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;molecular chlorine?

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-[[(4-chloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)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;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[(8-chloro-6,7-dihydroxy-1,4-dioxo-3H-phthalazin-2-yl)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;bis(2-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)-4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione);bis(3-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-8-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-2H-phthalazine-1,4-dione);1-azabicyclo[2.2.2]octan-4-ylmethylhydrazine;carbanide;4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]-2-benzofuran-1,3-dione;methane;(4-methoxyphenyl)methyl (4S,6R,7R)-3-(iodomethyl)-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;molecular chlorine (CID 172960110) is disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[(4-chloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)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;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[(8-chloro-6,7-dihydroxy-1,4-dioxo-3H-phthalazin-2-yl)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;bis(2-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)-4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione);bis(3-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-8-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-2H-phthalazine-1,4-dione);1-azabicyclo[2.2.2]octan-4-ylmethylhydrazine;carbanide;4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]-2-benzofuran-1,3-dione;methane;(4-methoxyphenyl)methyl (4S,6R,7R)-3-(iodomethyl)-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;molecular chlorine.

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-[[(4-chloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)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;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[(8-chloro-6,7-dihydroxy-1,4-dioxo-3H-phthalazin-2-yl)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;bis(2-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)-4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione);bis(3-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-8-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-2H-phthalazine-1,4-dione);1-azabicyclo[2.2.2]octan-4-ylmethylhydrazine;carbanide;4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]-2-benzofuran-1,3-dione;methane;(4-methoxyphenyl)methyl (4S,6R,7R)-3-(iodomethyl)-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;molecular chlorine?

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-[[(4-chloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)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;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[(8-chloro-6,7-dihydroxy-1,4-dioxo-3H-phthalazin-2-yl)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;bis(2-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)-4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione);bis(3-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-8-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-2H-phthalazine-1,4-dione);1-azabicyclo[2.2.2]octan-4-ylmethylhydrazine;carbanide;4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]-2-benzofuran-1,3-dione;methane;(4-methoxyphenyl)methyl (4S,6R,7R)-3-(iodomethyl)-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;molecular chlorine is C.C.COc1ccc(COC(=O)C2=C(CI)[C@H](C)S[C@@H]3[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c4csc(NC(=O)OC(C)(C)C)n4)C(=O)N23)cc1.COc1ccc(COc2cc3c(=O)n(CC45CCN(CC4)CC5)[nH]c(=O)c3c(Cl)c2OCc2ccc(OC)cc2)cc1.COc1ccc(COc2cc3c(=O)n(CC45CCN(CC4)CC5)[nH]c(=O)c3c(Cl)c2OCc2ccc(OC)cc2)cc1.COc1ccc(COc2cc3c(c(Cl)c2OCc2ccc(OC)cc2)C(=O)N(NCC24CCN(CC2)CC4)C3=O)cc1.COc1ccc(COc2cc3c(c(Cl)c2OCc2ccc(OC)cc2)C(=O)N(NCC24CCN(CC2)CC4)C3=O)cc1.COc1ccc(COc2cc3c(c(Cl)c2OCc2ccc(OC)cc2)C(=O)OC3=O)cc1.C[C@@H]1S[C@@H]2[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)[O-])c3csc(N)n3)C(=O)N2C(C(=O)[O-])=C1C[N+]12CCC(CNN3C(=O)c4cc(O)c(O)c(Cl)c4C3=O)(CC1)CC2.C[C@@H]1S[C@@H]2[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)[O-])c3csc(N)n3)C(=O)N2C(C(=O)[O-])=C1C[N+]12CCC(Cn3[nH]c(=O)c4cc(O)c(O)c(Cl)c4c3=O)(CC1)CC2.ClCl.NNCC12CCN(CC1)CC2.[CH3-].[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-[[(4-chloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)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;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[(8-chloro-6,7-dihydroxy-1,4-dioxo-3H-phthalazin-2-yl)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;bis(2-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)-4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione);bis(3-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-8-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-2H-phthalazine-1,4-dione);1-azabicyclo[2.2.2]octan-4-ylmethylhydrazine;carbanide;4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]-2-benzofuran-1,3-dione;methane;(4-methoxyphenyl)methyl (4S,6R,7R)-3-(iodomethyl)-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;molecular chlorine?

The InChIKey is XDOKQSAZDIYPOW-DUFIOATMSA-L. The full InChI is InChI=1S/C36H45IN4O10S2.2C35H38ClN7O11S2.4C32H34ClN3O6.C24H19ClO7.C8H17N3.2CH4.CH3.Cl2.2Na/c1-19-23(16-37)27(30(44)48-17-20-11-13-21(47-10)14-12-20)41-28(43)22(29(41)53-19)15-25(42)26(40-51-36(8,9)31(45)49-34(2,3)4)24-18-52-32(38-24)39-33(46)50-35(5,6)7;1-15-18(12-43-7-4-35(5-8-43,6-9-43)14-38-42-28(48)16-10-21(45)26(46)23(36)22(16)29(42)49)25(31(50)51)41-27(47)17(30(41)56-15)11-20(44)24(19-13-55-33(37)39-19)40-54-34(2,3)32(52)53;1-15-18(12-43-7-4-35(5-8-43,6-9-43)14-41-29(49)22-16(27(47)39-41)10-21(45)26(46)23(22)36)25(31(50)51)42-28(48)17(30(42)56-15)11-20(44)24(19-13-55-33(37)38-19)40-54-34(2,3)32(52)53;2*1-39-23-7-3-21(4-8-23)18-41-26-17-25-27(28(33)29(26)42-19-22-5-9-24(40-2)10-6-22)30(37)34-36(31(25)38)20-32-11-14-35(15-12-32)16-13-32;2*1-39-23-7-3-21(4-8-23)18-41-26-17-25-27(28(33)29(26)42-19-22-5-9-24(40-2)10-6-22)31(38)36(30(25)37)34-20-32-11-14-35(15-12-32)16-13-32;1-28-16-7-3-14(4-8-16)12-30-19-11-18-20(24(27)32-23(18)26)21(25)22(19)31-13-15-5-9-17(29-2)10-6-15;9-10-7-8-1-4-11(5-2-8)6-3-8;;;;1-2;;/h11-14,18-19,22,29H,15-17H2,1-10H3,(H,38,39,46);10,13,15,17,30,38H,4-9,11-12,14H2,1-3H3,(H5-,37,39,40,44,45,46,48,49,50,51,52,53);10,13,15,17,30H,4-9,11-12,14H2,1-3H3,(H6-,37,38,39,40,44,45,46,47,49,50,51,52,53);2*3-10,17H,11-16,18-20H2,1-2H3,(H,34,37);2*3-10,17,34H,11-16,18-20H2,1-2H3;3-11H,12-13H2,1-2H3;10H,1-7,9H2;2*1H4;1H3;;;/q;;;;;;;;;;;-1;;2*+1/p-2/b40-26-;;;;;;;;;;;;;;/t19-,22+,29+;2*15-,17+,30+,35?,43?;;;;;;;;;;;;/m000............/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-[[(4-chloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)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;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[(8-chloro-6,7-dihydroxy-1,4-dioxo-3H-phthalazin-2-yl)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;bis(2-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)-4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione);bis(3-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-8-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-2H-phthalazine-1,4-dione);1-azabicyclo[2.2.2]octan-4-ylmethylhydrazine;carbanide;4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]-2-benzofuran-1,3-dione;methane;(4-methoxyphenyl)methyl (4S,6R,7R)-3-(iodomethyl)-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;molecular chlorine?

disodium;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[[(4-chloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)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;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[(8-chloro-6,7-dihydroxy-1,4-dioxo-3H-phthalazin-2-yl)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;bis(2-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)-4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione);bis(3-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-8-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-2H-phthalazine-1,4-dione);1-azabicyclo[2.2.2]octan-4-ylmethylhydrazine;carbanide;4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]-2-benzofuran-1,3-dione;methane;(4-methoxyphenyl)methyl (4S,6R,7R)-3-(iodomethyl)-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;molecular chlorine has a molecular weight of 5689.91 g/mol, XLogP of 28.08, 90 rotatable bonds, 15 hydrogen bond donors, and 90 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-[[(4-chloro-5,6-dihydroxy-1,3-dioxoisoindol-2-yl)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;(4S,6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxylatopropan-2-yloxyimino)-2-oxopropyl]-3-[[4-[(8-chloro-6,7-dihydroxy-1,4-dioxo-3H-phthalazin-2-yl)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;bis(2-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)-4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione);bis(3-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-8-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-2H-phthalazine-1,4-dione);1-azabicyclo[2.2.2]octan-4-ylmethylhydrazine;carbanide;4-chloro-5,6-bis[(4-methoxyphenyl)methoxy]-2-benzofuran-1,3-dione;methane;(4-methoxyphenyl)methyl (4S,6R,7R)-3-(iodomethyl)-4-methyl-7-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;molecular chlorine is sourced from PubChem (CID 172960110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).