2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide

C224H266BBr5F2N30O34S9 — CID 160615499

IUPAC2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide
SMILESC#CC1=CN=C([C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C1.C#Cc1ccc2cc(-c3cnc([C@@H]4CC(F)(F)CN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2c1.C#Cc1ccc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2c1.C=C([C@@H](C)C(C)C)N1CCC[C@H]1c1ncc(C2=CC3SC(Br)=CC3S2)[nH]1.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)C1=CC2SC(Br)=CC2S1.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)C1=CC2SC=CC2S1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(C2=CC3SC(Br)=CC3S2)[nH]1.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1C1=NC=C(c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)C1)C(C)C.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1C1=NC=C(c2ccc3cc(Br)ccc3c2)C1)C(C)C.O=S=O.[C-]#[N+][C@H]1C[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)[C@H](CCC)NC(=O)OC)C1
InChIInChI=1S/C33H42BN3O5.C27H30BrN3O3.C26H26F2N4O3.C26H28N4O3.C21H24BrN5O3.C20H26BrN3S2.C18H22BrN3O2S2.C18H22BrNO5S2.C18H23NO5S2.C17H23N3O3.O2S/c1-20(2)28(36-30(39)40-7)29(38)37-19-33(12-13-33)17-27(37)26-16-24(18-35-26)22-8-9-23-15-25(11-10-21(23)14-22)34-41-31(3,4)32(5,6)42-34;1-16(2)24(30-26(33)34-3)25(32)31-15-27(8-9-27)13-23(31)22-12-20(14-29-22)18-4-5-19-11-21(28)7-6-17(19)10-18;1-5-16-6-7-18-11-19(9-8-17(18)10-16)20-13-29-23(30-20)21-12-26(27,28)14-32(21)24(33)22(15(2)3)31-25(34)35-4;1-5-17-8-9-19-14-20(11-10-18(19)13-17)21-15-27-24(28-21)22-7-6-12-30(22)25(31)23(16(2)3)29-26(32)33-4;1-4-5-16(26-21(29)30-3)20(28)27-12-15(23-2)10-18(27)19-24-11-17(25-19)13-6-8-14(22)9-7-13;1-11(2)12(3)13(4)24-7-5-6-15(24)20-22-10-14(23-20)16-8-17-18(25-16)9-19(21)26-17;1-18(2,3)24-17(23)22-6-4-5-11(22)16-20-9-10(21-16)12-7-13-14(25-12)8-15(19)26-13;1-18(2,3)25-17(23)20-6-4-5-10(20)16(22)24-9-11(21)12-7-13-14(26-12)8-15(19)27-13;1-18(2,3)24-17(22)19-7-4-5-11(19)16(21)23-10-12(20)14-9-15-13(26-14)6-8-25-15;1-5-12-9-13(18-10-12)14-7-6-8-20(14)16(21)15(11(2)3)19-17(22)23-4;1-3-2/h8-11,14-15,18,20,27-28H,12-13,16-17,19H2,1-7H3,(H,36,39);4-7,10-11,14,16,23-24H,8-9,12-13,15H2,1-3H3,(H,30,33);1,6-11,13,15,21-22H,12,14H2,2-4H3,(H,29,30)(H,31,34);1,8-11,13-16,22-23H,6-7,12H2,2-4H3,(H,27,28)(H,29,32);6-9,11,15-16,18H,4-5,10,12H2,1,3H3,(H,24,25)(H,26,29);8-12,15,17-18H,4-7H2,1-3H3,(H,22,23);7-9,11,13-14H,4-6H2,1-3H3,(H,20,21);7-8,10,13-14H,4-6,9H2,1-3H3;6,8-9,11,13,15H,4-5,7,10H2,1-3H3;1,10-11,14-15H,6-9H2,2-4H3,(H,19,22);/t27-,28-;23-,24-;21-,22-;22-,23-;15-,16-,18-;12-,15-,17?,18?;11-,13?,14?;10-,13?,14?;11-,13?,15?;14-,15-;/m0000000000./s1
InChIKeyRGAOCXVOQIBDMX-AIVSYKFLSA-N
MW4659.70 g/mol
LogP42.79
Rot. Bonds46

About 2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide

2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide (PubChem CID 160615499) has the molecular formula C224H266BBr5F2N30O34S9 and a molecular weight of 4659.70 g/mol. Its IUPAC name is 2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide.

Molecular Properties

Compound Name2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide
PubChem CID160615499
Molecular FormulaC224H266BBr5F2N30O34S9
Molecular Weight4659.70 g/mol
Exact Mass4651.35
IUPAC Name2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide
SMILESC#CC1=CN=C([C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C1.C#Cc1ccc2cc(-c3cnc([C@@H]4CC(F)(F)CN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2c1.C#Cc1ccc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2c1.C=C([C@@H](C)C(C)C)N1CCC[C@H]1c1ncc(C2=CC3SC(Br)=CC3S2)[nH]1.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)C1=CC2SC(Br)=CC2S1.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)C1=CC2SC=CC2S1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(C2=CC3SC(Br)=CC3S2)[nH]1.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1C1=NC=C(c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)C1)C(C)C.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1C1=NC=C(c2ccc3cc(Br)ccc3c2)C1)C(C)C.O=S=O.[C-]#[N+][C@H]1C[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)[C@H](CCC)NC(=O)OC)C1
InChIInChI=1S/C33H42BN3O5.C27H30BrN3O3.C26H26F2N4O3.C26H28N4O3.C21H24BrN5O3.C20H26BrN3S2.C18H22BrN3O2S2.C18H22BrNO5S2.C18H23NO5S2.C17H23N3O3.O2S/c1-20(2)28(36-30(39)40-7)29(38)37-19-33(12-13-33)17-27(37)26-16-24(18-35-26)22-8-9-23-15-25(11-10-21(23)14-22)34-41-31(3,4)32(5,6)42-34;1-16(2)24(30-26(33)34-3)25(32)31-15-27(8-9-27)13-23(31)22-12-20(14-29-22)18-4-5-19-11-21(28)7-6-17(19)10-18;1-5-16-6-7-18-11-19(9-8-17(18)10-16)20-13-29-23(30-20)21-12-26(27,28)14-32(21)24(33)22(15(2)3)31-25(34)35-4;1-5-17-8-9-19-14-20(11-10-18(19)13-17)21-15-27-24(28-21)22-7-6-12-30(22)25(31)23(16(2)3)29-26(32)33-4;1-4-5-16(26-21(29)30-3)20(28)27-12-15(23-2)10-18(27)19-24-11-17(25-19)13-6-8-14(22)9-7-13;1-11(2)12(3)13(4)24-7-5-6-15(24)20-22-10-14(23-20)16-8-17-18(25-16)9-19(21)26-17;1-18(2,3)24-17(23)22-6-4-5-11(22)16-20-9-10(21-16)12-7-13-14(25-12)8-15(19)26-13;1-18(2,3)25-17(23)20-6-4-5-10(20)16(22)24-9-11(21)12-7-13-14(26-12)8-15(19)27-13;1-18(2,3)24-17(22)19-7-4-5-11(19)16(21)23-10-12(20)14-9-15-13(26-14)6-8-25-15;1-5-12-9-13(18-10-12)14-7-6-8-20(14)16(21)15(11(2)3)19-17(22)23-4;1-3-2/h8-11,14-15,18,20,27-28H,12-13,16-17,19H2,1-7H3,(H,36,39);4-7,10-11,14,16,23-24H,8-9,12-13,15H2,1-3H3,(H,30,33);1,6-11,13,15,21-22H,12,14H2,2-4H3,(H,29,30)(H,31,34);1,8-11,13-16,22-23H,6-7,12H2,2-4H3,(H,27,28)(H,29,32);6-9,11,15-16,18H,4-5,10,12H2,1,3H3,(H,24,25)(H,26,29);8-12,15,17-18H,4-7H2,1-3H3,(H,22,23);7-9,11,13-14H,4-6H2,1-3H3,(H,20,21);7-8,10,13-14H,4-6,9H2,1-3H3;6,8-9,11,13,15H,4-5,7,10H2,1-3H3;1,10-11,14-15H,6-9H2,2-4H3,(H,19,22);/t27-,28-;23-,24-;21-,22-;22-,23-;15-,16-,18-;12-,15-,17?,18?;11-,13?,14?;10-,13?,14?;11-,13?,15?;14-,15-;/m0000000000./s1
InChIKeyRGAOCXVOQIBDMX-AIVSYKFLSA-N
XLogP42.79
TPSA767.88 Ų
H-Bond Donors11
H-Bond Acceptors51
Rotatable Bonds46
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004659.70
LogP ≤ 542.79
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1051

Analyze 2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide with MolForge

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What is the IUPAC name of 2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide?
The IUPAC name of 2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide (CID 160615499) is 2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide.
What is the SMILES notation for 2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide?
The canonical SMILES for 2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide is C#CC1=CN=C([C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C1.C#Cc1ccc2cc(-c3cnc([C@@H]4CC(F)(F)CN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2c1.C#Cc1ccc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2c1.C=C([C@@H](C)C(C)C)N1CCC[C@H]1c1ncc(C2=CC3SC(Br)=CC3S2)[nH]1.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)C1=CC2SC(Br)=CC2S1.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)C1=CC2SC=CC2S1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(C2=CC3SC(Br)=CC3S2)[nH]1.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1C1=NC=C(c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)C1)C(C)C.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1C1=NC=C(c2ccc3cc(Br)ccc3c2)C1)C(C)C.O=S=O.[C-]#[N+][C@H]1C[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)[C@H](CCC)NC(=O)OC)C1.
What is the InChIKey of 2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide?
The InChIKey is RGAOCXVOQIBDMX-AIVSYKFLSA-N. The full InChI is InChI=1S/C33H42BN3O5.C27H30BrN3O3.C26H26F2N4O3.C26H28N4O3.C21H24BrN5O3.C20H26BrN3S2.C18H22BrN3O2S2.C18H22BrNO5S2.C18H23NO5S2.C17H23N3O3.O2S/c1-20(2)28(36-30(39)40-7)29(38)37-19-33(12-13-33)17-27(37)26-16-24(18-35-26)22-8-9-23-15-25(11-10-21(23)14-22)34-41-31(3,4)32(5,6)42-34;1-16(2)24(30-26(33)34-3)25(32)31-15-27(8-9-27)13-23(31)22-12-20(14-29-22)18-4-5-19-11-21(28)7-6-17(19)10-18;1-5-16-6-7-18-11-19(9-8-17(18)10-16)20-13-29-23(30-20)21-12-26(27,28)14-32(21)24(33)22(15(2)3)31-25(34)35-4;1-5-17-8-9-19-14-20(11-10-18(19)13-17)21-15-27-24(28-21)22-7-6-12-30(22)25(31)23(16(2)3)29-26(32)33-4;1-4-5-16(26-21(29)30-3)20(28)27-12-15(23-2)10-18(27)19-24-11-17(25-19)13-6-8-14(22)9-7-13;1-11(2)12(3)13(4)24-7-5-6-15(24)20-22-10-14(23-20)16-8-17-18(25-16)9-19(21)26-17;1-18(2,3)24-17(23)22-6-4-5-11(22)16-20-9-10(21-16)12-7-13-14(25-12)8-15(19)26-13;1-18(2,3)25-17(23)20-6-4-5-10(20)16(22)24-9-11(21)12-7-13-14(26-12)8-15(19)27-13;1-18(2,3)24-17(22)19-7-4-5-11(19)16(21)23-10-12(20)14-9-15-13(26-14)6-8-25-15;1-5-12-9-13(18-10-12)14-7-6-8-20(14)16(21)15(11(2)3)19-17(22)23-4;1-3-2/h8-11,14-15,18,20,27-28H,12-13,16-17,19H2,1-7H3,(H,36,39);4-7,10-11,14,16,23-24H,8-9,12-13,15H2,1-3H3,(H,30,33);1,6-11,13,15,21-22H,12,14H2,2-4H3,(H,29,30)(H,31,34);1,8-11,13-16,22-23H,6-7,12H2,2-4H3,(H,27,28)(H,29,32);6-9,11,15-16,18H,4-5,10,12H2,1,3H3,(H,24,25)(H,26,29);8-12,15,17-18H,4-7H2,1-3H3,(H,22,23);7-9,11,13-14H,4-6H2,1-3H3,(H,20,21);7-8,10,13-14H,4-6,9H2,1-3H3;6,8-9,11,13,15H,4-5,7,10H2,1-3H3;1,10-11,14-15H,6-9H2,2-4H3,(H,19,22);/t27-,28-;23-,24-;21-,22-;22-,23-;15-,16-,18-;12-,15-,17?,18?;11-,13?,14?;10-,13?,14?;11-,13?,15?;14-,15-;/m0000000000./s1.
What are the key properties of 2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide?
2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide has a molecular weight of 4659.70 g/mol, XLogP of 42.79, 46 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[2-(3a,6a-dihydrothieno[3,2-b]thiophen-5-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazole;2-O-[2-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-(5-bromo-3a,6a-dihydrothieno[3,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(6S)-6-[4-(6-bromonaphthalen-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(6-ethynylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-(4-ethynyl-3H-pyrrol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;sulfur dioxide is sourced from PubChem (CID 160615499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).