dicesium;acetic acid;azane;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;hydride;(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate

C182H235BrCl2Cs2MnN16O47 — CID 160771784

About dicesium;acetic acid;azane;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;hydride;(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate

dicesium;acetic acid;azane;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;hydride;(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate (PubChem CID 160771784) has the molecular formula C182H235BrCl2Cs2MnN16O47 and a molecular weight of 3870.50 g/mol. Its IUPAC name is dicesium;acetic acid;azane;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;hydride;(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate.

Molecular Properties

• Compound Name: dicesium;acetic acid;azane;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;hydride;(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate
• PubChem CID: 160771784
• Molecular Formula: C182H235BrCl2Cs2MnN16O47
• Molecular Weight: 3870.50 g/mol
• Exact Mass: 3866.25
• IUPAC Name: dicesium;acetic acid;azane;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;hydride;(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate
• SMILES: CC(=O)O.CC[C@H](C)[C@H](NC(=O)OC)C(=O)O.COC[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1.COC[C@H]1C[C@@H](C(=O)OC2CCc3cc4c(cc3C2=O)OCc2cc(C(=O)COC(=O)[C@@H]3CC[C@H](C)N3C(=O)OC(C)(C)C)ccc2-4)N(C(=O)OC(C)(C)C)C1.COC[C@H]1C[C@@H](C2=NC3=C(C2)c2cc4c(cc2CC3)-c2ccc(-c3cnc([C@@H]5CC[C@H](C)N5C(=O)OC(C)(C)C)[nH]3)cc2CO4)N(C(=O)OC(C)(C)C)C1.COC[C@H]1C[C@@H](C2=Nc3ccc4cc5c(cc4c3C2)OCc2cc(-c3cnc([C@@H]4CC[C@H](C)N4C(=O)OC(C)(C)C)[nH]3)ccc2-5)N(C(=O)OC(C)(C)C)C1.C[C@H]1CC[C@@H](C(=O)OCC(=O)c2ccc3c(c2)COc2cc4c(cc2-3)CCC(Br)C4=O)N1C(=O)OC(C)(C)C.ClCCl.N.O=CO[O-].O=[Mn]=O.[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C43H53N5O6.C43H51N5O6.C42H52N2O12.C30H32BrNO7.C12H21NO5.C8H15NO4.C2H4O2.CH2Cl2.CH2O3.2Cs.Mn.H3N.2O.H/c2*1-24-9-14-36(48(24)41(50)54-43(5,6)7)39-44-20-35(46-39)27-10-12-29-28(16-27)23-52-38-19-30-26(17-32(29)38)11-13-33-31(30)18-34(45-33)37-15-25(22-51-8)21-47(37)40(49)53-42(2,3)4;1-23-9-13-31(44(23)40(50)56-42(5,6)7)37(47)53-22-33(45)26-10-12-28-27(16-26)21-52-35-18-29-25(17-30(28)35)11-14-34(36(29)46)54-38(48)32-15-24(20-51-8)19-43(32)39(49)55-41(2,3)4;1-16-5-10-24(32(16)29(36)39-30(2,3)4)28(35)38-15-25(33)18-6-8-20-19(11-18)14-37-26-13-21-17(12-22(20)26)7-9-23(31)27(21)34;1-12(2,3)18-11(16)13-6-8(7-17-4)5-9(13)10(14)15;1-4-5(2)6(7(10)11)9-8(12)13-3;1-2(3)4;2-1-3;2-1-4-3;;;;;;;/h10,12,16-17,19-20,24-25,36-37H,9,11,13-15,18,21-23H2,1-8H3,(H,44,46);10-13,16-17,19-20,24-25,36-37H,9,14-15,18,21-23H2,1-8H3,(H,44,46);10,12,16-18,23-24,31-32,34H,9,11,13-15,19-22H2,1-8H3;6,8,11-13,16,23-24H,5,7,9-10,14-15H2,1-4H3;8-9H,5-7H2,1-4H3,(H,14,15);5-6H,4H2,1-3H3,(H,9,12)(H,10,11);1H3,(H,3,4);1H2;1,3H;;;;1H3;;;/q;;;;;;;;;2*+1;;;;;-1/p-1/t2*24-,25-,36-,37-;23-,24-,31-,32-,34?;16-,23?,24-;8-,9-;5-,6-;;;;;;;;;;/m000000........../s1
• InChIKey: QJJGHDCBYHEMJD-GJEQGRBJSA-M
• XLogP: 25.92
• TPSA: 808.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 49
• Rotatable Bonds: 30
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3870.50
LogP ≤ 5	25.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of dicesium;acetic acid;azane;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;hydride;(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate?

The IUPAC name of dicesium;acetic acid;azane;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;hydride;(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate (CID 160771784) is dicesium;acetic acid;azane;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;hydride;(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate.

What is the SMILES notation for dicesium;acetic acid;azane;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;hydride;(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate?

The canonical SMILES for dicesium;acetic acid;azane;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;hydride;(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate is CC(=O)O.CC[C@H](C)[C@H](NC(=O)OC)C(=O)O.COC[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1.COC[C@H]1C[C@@H](C(=O)OC2CCc3cc4c(cc3C2=O)OCc2cc(C(=O)COC(=O)[C@@H]3CC[C@H](C)N3C(=O)OC(C)(C)C)ccc2-4)N(C(=O)OC(C)(C)C)C1.COC[C@H]1C[C@@H](C2=NC3=C(C2)c2cc4c(cc2CC3)-c2ccc(-c3cnc([C@@H]5CC[C@H](C)N5C(=O)OC(C)(C)C)[nH]3)cc2CO4)N(C(=O)OC(C)(C)C)C1.COC[C@H]1C[C@@H](C2=Nc3ccc4cc5c(cc4c3C2)OCc2cc(-c3cnc([C@@H]4CC[C@H](C)N4C(=O)OC(C)(C)C)[nH]3)ccc2-5)N(C(=O)OC(C)(C)C)C1.C[C@H]1CC[C@@H](C(=O)OCC(=O)c2ccc3c(c2)COc2cc4c(cc2-3)CCC(Br)C4=O)N1C(=O)OC(C)(C)C.ClCCl.N.O=CO[O-].O=[Mn]=O.[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;acetic acid;azane;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;hydride;(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate?

The InChIKey is QJJGHDCBYHEMJD-GJEQGRBJSA-M. The full InChI is InChI=1S/C43H53N5O6.C43H51N5O6.C42H52N2O12.C30H32BrNO7.C12H21NO5.C8H15NO4.C2H4O2.CH2Cl2.CH2O3.2Cs.Mn.H3N.2O.H/c2*1-24-9-14-36(48(24)41(50)54-43(5,6)7)39-44-20-35(46-39)27-10-12-29-28(16-27)23-52-38-19-30-26(17-32(29)38)11-13-33-31(30)18-34(45-33)37-15-25(22-51-8)21-47(37)40(49)53-42(2,3)4;1-23-9-13-31(44(23)40(50)56-42(5,6)7)37(47)53-22-33(45)26-10-12-28-27(16-26)21-52-35-18-29-25(17-30(28)35)11-14-34(36(29)46)54-38(48)32-15-24(20-51-8)19-43(32)39(49)55-41(2,3)4;1-16-5-10-24(32(16)29(36)39-30(2,3)4)28(35)38-15-25(33)18-6-8-20-19(11-18)14-37-26-13-21-17(12-22(20)26)7-9-23(31)27(21)34;1-12(2,3)18-11(16)13-6-8(7-17-4)5-9(13)10(14)15;1-4-5(2)6(7(10)11)9-8(12)13-3;1-2(3)4;2-1-3;2-1-4-3;;;;;;;/h10,12,16-17,19-20,24-25,36-37H,9,11,13-15,18,21-23H2,1-8H3,(H,44,46);10-13,16-17,19-20,24-25,36-37H,9,14-15,18,21-23H2,1-8H3,(H,44,46);10,12,16-18,23-24,31-32,34H,9,11,13-15,19-22H2,1-8H3;6,8,11-13,16,23-24H,5,7,9-10,14-15H2,1-4H3;8-9H,5-7H2,1-4H3,(H,14,15);5-6H,4H2,1-3H3,(H,9,12)(H,10,11);1H3,(H,3,4);1H2;1,3H;;;;1H3;;;/q;;;;;;;;;2*+1;;;;;-1/p-1/t2*24-,25-,36-,37-;23-,24-,31-,32-,34?;16-,23?,24-;8-,9-;5-,6-;;;;;;;;;;/m000000........../s1.

What are the key properties of dicesium;acetic acid;azane;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;hydride;(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate?

dicesium;acetic acid;azane;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;hydride;(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate has a molecular weight of 3870.50 g/mol, XLogP of 25.92, 30 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;acetic acid;azane;2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,5S)-5-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-[5-[6-[(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;hydride;(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid;(2S,4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate is sourced from PubChem (CID 160771784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).