2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate

C184H189Cl18N45O43 — CID 167562216

IUPAC2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate
SMILESC=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4ccc5c(c4)CCCC5)C(O)(O)[C@]23N1.C=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cccc5c4Cc4ccccc4-5)C(O)(O)[C@]23N1.C=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cccc5c4OCC5)C(O)(O)[C@]23N1.C=C1N[C@H]2[C@H](CN3C(=O)CN(c4ccccc4)C3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cccc(C)c4C)C(O)(O)[C@]23N1.C=C1N[C@H]2[C@H](CN3C(=O)CN(c4ccccc4)C3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cccc5c4CCC5)C(O)(O)[C@]23N1.C=C1N[C@H]2[C@H](CN3C(=O)CN(c4ccccc4)C3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cccc5c4Cc4ccccc4-5)C(O)(O)[C@]23N1
InChIInChI=1S/C36H33Cl3N8O7.C32H33Cl3N8O7.C31H33Cl3N8O7.C31H30Cl3N7O7.C28H32Cl3N7O7.C26H28Cl3N7O8/c1-19-40-29-26(15-46-28(48)17-45(33(46)51)21-9-3-2-4-10-21)41-31(43-32(50)54-18-34(37,38)39)47-16-27(36(52,53)35(29,47)44-19)42-30(49)24-13-7-12-23-22-11-6-5-8-20(22)14-25(23)24;1-17-36-25-22(13-42-24(44)15-41(29(42)47)19-9-3-2-4-10-19)37-27(39-28(46)50-16-30(33,34)35)43-14-23(32(48,49)31(25,43)40-17)38-26(45)21-12-6-8-18-7-5-11-20(18)21;1-16-8-7-11-20(17(16)2)25(44)37-22-13-42-26(38-27(45)49-15-29(32,33)34)36-21(24-30(42,31(22,47)48)39-18(3)35-24)12-41-23(43)14-40(28(41)46)19-9-5-4-6-10-19;1-15-35-25-21(12-40-23(42)9-10-24(40)43)36-27(38-28(45)48-14-29(32,33)34)41-13-22(31(46,47)30(25,41)39-15)37-26(44)19-8-4-7-18-17-6-3-2-5-16(17)11-20(18)19;1-14-32-22-18(11-37-20(39)8-9-21(37)40)33-24(35-25(42)45-13-26(29,30)31)38-12-19(28(43,44)27(22,38)36-14)34-23(41)17-7-6-15-4-2-3-5-16(15)10-17;1-12-30-20-15(9-35-17(37)5-6-18(35)38)31-22(33-23(40)44-11-24(27,28)29)36-10-16(26(41,42)25(20,36)34-12)32-21(39)14-4-2-3-13-7-8-43-19(13)14/h2-13,26-27,29,40,44,52-53H,1,14-18H2,(H,42,49)(H,41,43,50);2-4,6,8-10,12,22-23,25,36,40,48-49H,1,5,7,11,13-16H2,(H,38,45)(H,37,39,46);4-11,21-22,24,35,39,47-48H,3,12-15H2,1-2H3,(H,37,44)(H,36,38,45);2-8,21-22,25,35,39,46-47H,1,9-14H2,(H,37,44)(H,36,38,45);6-7,10,18-19,22,32,36,43-44H,1-5,8-9,11-13H2,(H,34,41)(H,33,35,42);2-4,15-16,20,30,34,41-42H,1,5-11H2,(H,32,39)(H,31,33,40)/t26-,27-,29-,35-;22-,23-,25-,31-;21-,22-,24-,30-;21-,22-,25-,30-;18-,19-,22-,27-;15-,16-,20-,25-/m000000/s1
InChIKeyDUUJLOSJGFCKIL-YDBNPEQWSA-N
MW4356.96 g/mol
LogP5.99
Rot. Bonds33

About 2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate

2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate (PubChem CID 167562216) has the molecular formula C184H189Cl18N45O43 and a molecular weight of 4356.96 g/mol. Its IUPAC name is 2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate.

Molecular Properties

Compound Name2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate
PubChem CID167562216
Molecular FormulaC184H189Cl18N45O43
Molecular Weight4356.96 g/mol
Exact Mass4345.84
IUPAC Name2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate
SMILESC=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4ccc5c(c4)CCCC5)C(O)(O)[C@]23N1.C=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cccc5c4Cc4ccccc4-5)C(O)(O)[C@]23N1.C=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cccc5c4OCC5)C(O)(O)[C@]23N1.C=C1N[C@H]2[C@H](CN3C(=O)CN(c4ccccc4)C3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cccc(C)c4C)C(O)(O)[C@]23N1.C=C1N[C@H]2[C@H](CN3C(=O)CN(c4ccccc4)C3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cccc5c4CCC5)C(O)(O)[C@]23N1.C=C1N[C@H]2[C@H](CN3C(=O)CN(c4ccccc4)C3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cccc5c4Cc4ccccc4-5)C(O)(O)[C@]23N1
InChIInChI=1S/C36H33Cl3N8O7.C32H33Cl3N8O7.C31H33Cl3N8O7.C31H30Cl3N7O7.C28H32Cl3N7O7.C26H28Cl3N7O8/c1-19-40-29-26(15-46-28(48)17-45(33(46)51)21-9-3-2-4-10-21)41-31(43-32(50)54-18-34(37,38)39)47-16-27(36(52,53)35(29,47)44-19)42-30(49)24-13-7-12-23-22-11-6-5-8-20(22)14-25(23)24;1-17-36-25-22(13-42-24(44)15-41(29(42)47)19-9-3-2-4-10-19)37-27(39-28(46)50-16-30(33,34)35)43-14-23(32(48,49)31(25,43)40-17)38-26(45)21-12-6-8-18-7-5-11-20(18)21;1-16-8-7-11-20(17(16)2)25(44)37-22-13-42-26(38-27(45)49-15-29(32,33)34)36-21(24-30(42,31(22,47)48)39-18(3)35-24)12-41-23(43)14-40(28(41)46)19-9-5-4-6-10-19;1-15-35-25-21(12-40-23(42)9-10-24(40)43)36-27(38-28(45)48-14-29(32,33)34)41-13-22(31(46,47)30(25,41)39-15)37-26(44)19-8-4-7-18-17-6-3-2-5-16(17)11-20(18)19;1-14-32-22-18(11-37-20(39)8-9-21(37)40)33-24(35-25(42)45-13-26(29,30)31)38-12-19(28(43,44)27(22,38)36-14)34-23(41)17-7-6-15-4-2-3-5-16(15)10-17;1-12-30-20-15(9-35-17(37)5-6-18(35)38)31-22(33-23(40)44-11-24(27,28)29)36-10-16(26(41,42)25(20,36)34-12)32-21(39)14-4-2-3-13-7-8-43-19(13)14/h2-13,26-27,29,40,44,52-53H,1,14-18H2,(H,42,49)(H,41,43,50);2-4,6,8-10,12,22-23,25,36,40,48-49H,1,5,7,11,13-16H2,(H,38,45)(H,37,39,46);4-11,21-22,24,35,39,47-48H,3,12-15H2,1-2H3,(H,37,44)(H,36,38,45);2-8,21-22,25,35,39,46-47H,1,9-14H2,(H,37,44)(H,36,38,45);6-7,10,18-19,22,32,36,43-44H,1-5,8-9,11-13H2,(H,34,41)(H,33,35,42);2-4,15-16,20,30,34,41-42H,1,5-11H2,(H,32,39)(H,31,33,40)/t26-,27-,29-,35-;22-,23-,25-,31-;21-,22-,24-,30-;21-,22-,25-,30-;18-,19-,22-,27-;15-,16-,20-,25-/m000000/s1
InChIKeyDUUJLOSJGFCKIL-YDBNPEQWSA-N
XLogP5.99
TPSA1128.53 Ų
H-Bond Donors36
H-Bond Acceptors67
Rotatable Bonds33
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004356.96
LogP ≤ 55.99
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1067

Analyze 2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate with MolForge

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Related Compounds

2,2,2-trichloroethyl N-[(3aS,4S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-10,10-dihydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate
CID 157110690
2,2,2-trichloroethyl N-[(4S)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-4-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate
CID 159906725
2,2,2-trichloroethyl N-[(3aS,4S,10aS)-9-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate
CID 159489491
2,2,2-trichloroethyl N-[(4S)-9-[(3-tert-butylbenzoyl)amino]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate
CID 162070389
2,2,2-trichloroethyl N-[(3aS,4S,10aS)-9-(2,3-dihydroindole-1-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate
CID 161156417
2,2,2-trichloroethyl N-[(3aS,4S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-9-[(2-methoxynaphthalene-1-carbonyl)amino]-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate
CID 157483321
N-[(3aS,4S,9S,10aS)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-9H-fluorene-1-carboxamide
CID 130335147
N-[(4S,9S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-9H-fluorene-1-carboxamide
CID 130343783
N-[(4S,9S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 166717346
2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(3-tert-butylbenzoyl)amino]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(3,5-ditert-butylbenzoyl)amino]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(3,5-ditert-butyl-4-hydroxybenzoyl)amino]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-9-[(3-methoxybenzoyl)amino]-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-9-[(3-methylbenzoyl)amino]-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-[(3-ethylbenzoyl)amino]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate
CID 167586883
N-[(3aS,4S,10aS)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-3-ium-9-yl]-7,7-difluoro-6,8-dihydro-5H-naphthalene-1-carboxamide;N-[(3aS,4S,10aS)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-3-ium-9-yl]-6,6-dimethyl-7,8-dihydro-5H-naphthalene-1-carboxamide;N-[(3aS,4S,10aS)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-3-ium-9-yl]-6,6-dimethyl-7,8-dihydro-5H-naphthalene-1-carboxamide;N-[(3aS,4S,10aS)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-3-ium-9-yl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxamide
CID 167547487
N-[(3aS,4S,10aS)-2,6-diamino-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-3-ium-9-yl]-6,6-dimethyl-7,8-dihydro-5H-naphthalene-1-carboxamide
CID 164845896

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate?
The IUPAC name of 2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate (CID 167562216) is 2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate.
What is the SMILES notation for 2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate?
The canonical SMILES for 2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate is C=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4ccc5c(c4)CCCC5)C(O)(O)[C@]23N1.C=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cccc5c4Cc4ccccc4-5)C(O)(O)[C@]23N1.C=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cccc5c4OCC5)C(O)(O)[C@]23N1.C=C1N[C@H]2[C@H](CN3C(=O)CN(c4ccccc4)C3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cccc(C)c4C)C(O)(O)[C@]23N1.C=C1N[C@H]2[C@H](CN3C(=O)CN(c4ccccc4)C3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cccc5c4CCC5)C(O)(O)[C@]23N1.C=C1N[C@H]2[C@H](CN3C(=O)CN(c4ccccc4)C3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cccc5c4Cc4ccccc4-5)C(O)(O)[C@]23N1.
What is the InChIKey of 2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate?
The InChIKey is DUUJLOSJGFCKIL-YDBNPEQWSA-N. The full InChI is InChI=1S/C36H33Cl3N8O7.C32H33Cl3N8O7.C31H33Cl3N8O7.C31H30Cl3N7O7.C28H32Cl3N7O7.C26H28Cl3N7O8/c1-19-40-29-26(15-46-28(48)17-45(33(46)51)21-9-3-2-4-10-21)41-31(43-32(50)54-18-34(37,38)39)47-16-27(36(52,53)35(29,47)44-19)42-30(49)24-13-7-12-23-22-11-6-5-8-20(22)14-25(23)24;1-17-36-25-22(13-42-24(44)15-41(29(42)47)19-9-3-2-4-10-19)37-27(39-28(46)50-16-30(33,34)35)43-14-23(32(48,49)31(25,43)40-17)38-26(45)21-12-6-8-18-7-5-11-20(18)21;1-16-8-7-11-20(17(16)2)25(44)37-22-13-42-26(38-27(45)49-15-29(32,33)34)36-21(24-30(42,31(22,47)48)39-18(3)35-24)12-41-23(43)14-40(28(41)46)19-9-5-4-6-10-19;1-15-35-25-21(12-40-23(42)9-10-24(40)43)36-27(38-28(45)48-14-29(32,33)34)41-13-22(31(46,47)30(25,41)39-15)37-26(44)19-8-4-7-18-17-6-3-2-5-16(17)11-20(18)19;1-14-32-22-18(11-37-20(39)8-9-21(37)40)33-24(35-25(42)45-13-26(29,30)31)38-12-19(28(43,44)27(22,38)36-14)34-23(41)17-7-6-15-4-2-3-5-16(15)10-17;1-12-30-20-15(9-35-17(37)5-6-18(35)38)31-22(33-23(40)44-11-24(27,28)29)36-10-16(26(41,42)25(20,36)34-12)32-21(39)14-4-2-3-13-7-8-43-19(13)14/h2-13,26-27,29,40,44,52-53H,1,14-18H2,(H,42,49)(H,41,43,50);2-4,6,8-10,12,22-23,25,36,40,48-49H,1,5,7,11,13-16H2,(H,38,45)(H,37,39,46);4-11,21-22,24,35,39,47-48H,3,12-15H2,1-2H3,(H,37,44)(H,36,38,45);2-8,21-22,25,35,39,46-47H,1,9-14H2,(H,37,44)(H,36,38,45);6-7,10,18-19,22,32,36,43-44H,1-5,8-9,11-13H2,(H,34,41)(H,33,35,42);2-4,15-16,20,30,34,41-42H,1,5-11H2,(H,32,39)(H,31,33,40)/t26-,27-,29-,35-;22-,23-,25-,31-;21-,22-,24-,30-;21-,22-,25-,30-;18-,19-,22-,27-;15-,16-,20-,25-/m000000/s1.
What are the key properties of 2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate?
2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate has a molecular weight of 4356.96 g/mol, XLogP of 5.99, 33 rotatable bonds, 36 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1-benzofuran-7-carbonylamino)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-(2,3-dihydro-1H-indene-4-carbonylamino)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-9-[(2,3-dimethylbenzoyl)amino]-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxo-3-phenylimidazolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-2-methylidene-9-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate;2,2,2-trichloroethyl N-[(3aS,4S,9S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-9-(9H-fluorene-1-carbonylamino)-10,10-dihydroxy-2-methylidene-1,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-6-yl]carbamate is sourced from PubChem (CID 167562216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).