cyclobutyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclobutyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclopropyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;propan-2-yl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate

C164H204Cl3N13O33S4 — CID 159960385

About cyclobutyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclobutyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclopropyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;propan-2-yl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate

cyclobutyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclobutyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclopropyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;propan-2-yl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate (PubChem CID 159960385) has the molecular formula C164H204Cl3N13O33S4 and a molecular weight of 3120.12 g/mol. Its IUPAC name is cyclobutyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclobutyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclopropyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;propan-2-yl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate.

Molecular Properties

• Compound Name: cyclobutyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclobutyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclopropyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;propan-2-yl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate
• PubChem CID: 159960385
• Molecular Formula: C164H204Cl3N13O33S4
• Molecular Weight: 3120.12 g/mol
• Exact Mass: 3116.26
• IUPAC Name: cyclobutyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclobutyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclopropyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;propan-2-yl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate
• SMILES: COc1ccc2nc(C)c3c(c2c1)CC[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](CC(=O)OC4(C)CCC4)C(=O)N2C1)O3.Cc1nc2ccc(Cl)cc2c2c1O[C@]1(CC2)C[C@H]2C(=O)C[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3/C=C\CCCCC[C@H](CC(=O)OC(C)C)C(=O)N2C1.Cc1nc2ccc(Cl)cc2c2c1O[C@]1(CC2)C[C@H]2C(=O)C[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3/C=C\CCCCC[C@H](CC(=O)OC3(C)CC3)C(=O)N2C1.Cc1nc2ccc(Cl)cc2c2c1O[C@]1(CC2)C[C@H]2C(=O)C[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3/C=C\CCCCC[C@H](CC(=O)OC3CCC3)C(=O)N2C1
• InChI: InChI=1S/C42H54N4O9S.2C41H50ClN3O8S.C40H50ClN3O8S/c1-26-35-30(31-22-29(53-4)13-14-32(31)43-26)15-18-41(55-35)24-33-36(48)44-42(38(50)45-56(51,52)40(3)19-20-40)23-28(42)12-9-7-5-6-8-11-27(37(49)46(33)25-41)21-34(47)54-39(2)16-10-17-39;1-25-35-29(30-20-28(42)11-12-31(30)43-25)13-14-40(53-35)22-32-33(46)23-41(37(49)44-54(50,51)39(3)17-18-39)21-27(41)10-8-6-4-5-7-9-26(36(48)45(32)24-40)19-34(47)52-38(2)15-16-38;1-25-36-30(31-20-28(42)13-14-32(31)43-25)15-16-40(53-36)22-33-34(46)23-41(38(49)44-54(50,51)39(2)17-18-39)21-27(41)10-7-5-3-4-6-9-26(37(48)45(33)24-40)19-35(47)52-29-11-8-12-29;1-24(2)51-34(46)18-26-10-8-6-5-7-9-11-27-20-40(27,37(48)43-53(49,50)38(4)16-17-38)22-33(45)32-21-39(23-44(32)36(26)47)15-14-29-30-19-28(41)12-13-31(30)42-25(3)35(29)52-39/h9,12-14,22,27-28,33H,5-8,10-11,15-21,23-25H2,1-4H3,(H,44,48)(H,45,50);8,10-12,20,26-27,32H,4-7,9,13-19,21-24H2,1-3H3,(H,44,49);7,10,13-14,20,26-27,29,33H,3-6,8-9,11-12,15-19,21-24H2,1-2H3,(H,44,49);9,11-13,19,24,26-27,32H,5-8,10,14-18,20-23H2,1-4H3,(H,43,48)/b12-9-;10-8-;10-7-;11-9-/t27-,28-,33+,41-,42-;26-,27-,32+,40-,41-;26-,27-,33+,40-,41-;26-,27-,32+,39-,40-/m1111/s1
• InChIKey: ODGCZORMAMBXMM-NPTBULJCSA-N
• XLogP: 24.30
• TPSA: 617.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3120.12
LogP ≤ 5	24.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclobutyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclopropyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;propan-2-yl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate?

The IUPAC name of cyclobutyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclobutyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclopropyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;propan-2-yl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate (CID 159960385) is cyclobutyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclobutyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclopropyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;propan-2-yl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate.

What is the SMILES notation for cyclobutyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclobutyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclopropyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;propan-2-yl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate?

The canonical SMILES for cyclobutyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclobutyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclopropyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;propan-2-yl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate is COc1ccc2nc(C)c3c(c2c1)CC[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](CC(=O)OC4(C)CCC4)C(=O)N2C1)O3.Cc1nc2ccc(Cl)cc2c2c1O[C@]1(CC2)C[C@H]2C(=O)C[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3/C=C\CCCCC[C@H](CC(=O)OC(C)C)C(=O)N2C1.Cc1nc2ccc(Cl)cc2c2c1O[C@]1(CC2)C[C@H]2C(=O)C[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3/C=C\CCCCC[C@H](CC(=O)OC3(C)CC3)C(=O)N2C1.Cc1nc2ccc(Cl)cc2c2c1O[C@]1(CC2)C[C@H]2C(=O)C[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3/C=C\CCCCC[C@H](CC(=O)OC3CCC3)C(=O)N2C1.

What is the InChIKey of cyclobutyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclobutyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclopropyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;propan-2-yl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate?

The InChIKey is ODGCZORMAMBXMM-NPTBULJCSA-N. The full InChI is InChI=1S/C42H54N4O9S.2C41H50ClN3O8S.C40H50ClN3O8S/c1-26-35-30(31-22-29(53-4)13-14-32(31)43-26)15-18-41(55-35)24-33-36(48)44-42(38(50)45-56(51,52)40(3)19-20-40)23-28(42)12-9-7-5-6-8-11-27(37(49)46(33)25-41)21-34(47)54-39(2)16-10-17-39;1-25-35-29(30-20-28(42)11-12-31(30)43-25)13-14-40(53-35)22-32-33(46)23-41(37(49)44-54(50,51)39(3)17-18-39)21-27(41)10-8-6-4-5-7-9-26(36(48)45(32)24-40)19-34(47)52-38(2)15-16-38;1-25-36-30(31-20-28(42)13-14-32(31)43-25)15-16-40(53-36)22-33-34(46)23-41(38(49)44-54(50,51)39(2)17-18-39)21-27(41)10-7-5-3-4-6-9-26(37(48)45(33)24-40)19-35(47)52-29-11-8-12-29;1-24(2)51-34(46)18-26-10-8-6-5-7-9-11-27-20-40(27,37(48)43-53(49,50)38(4)16-17-38)22-33(45)32-21-39(23-44(32)36(26)47)15-14-29-30-19-28(41)12-13-31(30)42-25(3)35(29)52-39/h9,12-14,22,27-28,33H,5-8,10-11,15-21,23-25H2,1-4H3,(H,44,48)(H,45,50);8,10-12,20,26-27,32H,4-7,9,13-19,21-24H2,1-3H3,(H,44,49);7,10,13-14,20,26-27,29,33H,3-6,8-9,11-12,15-19,21-24H2,1-2H3,(H,44,49);9,11-13,19,24,26-27,32H,5-8,10,14-18,20-23H2,1-4H3,(H,43,48)/b12-9-;10-8-;10-7-;11-9-/t27-,28-,33+,41-,42-;26-,27-,32+,40-,41-;26-,27-,33+,40-,41-;26-,27-,32+,39-,40-/m1111/s1.

What are the key properties of cyclobutyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclobutyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclopropyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;propan-2-yl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate?

cyclobutyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclobutyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclopropyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;propan-2-yl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate has a molecular weight of 3120.12 g/mol, XLogP of 24.30, 25 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutyl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclobutyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;(1-methylcyclopropyl) 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;propan-2-yl 2-[(1'S,3R,4'R,6'S,7'Z,14'R)-9-chloro-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate is sourced from PubChem (CID 159960385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).