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

C168H204Cl18N42O44 — CID 167586883

IUPAC2,2,2-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
SMILESC=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)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)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)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)c4cccc(C(C)(C)C)c4)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)c4cccc(C)c4)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)c4cccc(CC)c4)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)c4cccc(OC)c4)C(O)(O)[C@]23N1
InChIInChI=1S/C32H42Cl3N7O8.C32H42Cl3N7O7.C28H34Cl3N7O7.C26H30Cl3N7O7.C25H28Cl3N7O8.C25H28Cl3N7O7/c1-15-36-24-19(12-41-21(43)8-9-22(41)44)37-26(39-27(47)50-14-30(33,34)35)42-13-20(32(48,49)31(24,42)40-15)38-25(46)16-10-17(28(2,3)4)23(45)18(11-16)29(5,6)7;1-16-36-24-20(13-41-22(43)8-9-23(41)44)37-26(39-27(46)49-15-30(33,34)35)42-14-21(32(47,48)31(24,42)40-16)38-25(45)17-10-18(28(2,3)4)12-19(11-17)29(5,6)7;1-14-32-21-17(11-37-19(39)8-9-20(37)40)33-23(35-24(42)45-13-26(29,30)31)38-12-18(28(43,44)27(21,38)36-14)34-22(41)15-6-5-7-16(10-15)25(2,3)4;1-3-14-5-4-6-15(9-14)21(39)32-17-11-36-22(33-23(40)43-12-24(27,28)29)31-16(10-35-18(37)7-8-19(35)38)20-25(36,26(17,41)42)34-13(2)30-20;1-12-29-19-15(9-34-17(36)6-7-18(34)37)30-21(32-22(39)43-11-23(26,27)28)35-10-16(25(40,41)24(19,35)33-12)31-20(38)13-4-3-5-14(8-13)42-2;1-12-4-3-5-14(8-12)20(38)31-16-10-35-21(32-22(39)42-11-23(26,27)28)30-15(9-34-17(36)6-7-18(34)37)19-24(35,25(16,40)41)33-13(2)29-19/h10-11,19-20,24,36,40,45,48-49H,1,8-9,12-14H2,2-7H3,(H,38,46)(H,37,39,47);10-12,20-21,24,36,40,47-48H,1,8-9,13-15H2,2-7H3,(H,38,45)(H,37,39,46);5-7,10,17-18,21,32,36,43-44H,1,8-9,11-13H2,2-4H3,(H,34,41)(H,33,35,42);4-6,9,16-17,20,30,34,41-42H,2-3,7-8,10-12H2,1H3,(H,32,39)(H,31,33,40);3-5,8,15-16,19,29,33,40-41H,1,6-7,9-11H2,2H3,(H,31,38)(H,30,32,39);3-5,8,15-16,19,29,33,40-41H,2,6-7,9-11H2,1H3,(H,31,38)(H,30,32,39)/t19-,20-,24-,31-;20-,21-,24-,31-;17-,18-,21-,27-;16-,17-,20-,25-;2*15-,16-,19-,24-/m000000/s1
InChIKeyHXMDNMUFCKXVFA-JMQWUSAQSA-N
MW4153.88 g/mol
LogP4.04
Rot. Bonds32

About 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

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 (PubChem CID 167586883) has the molecular formula C168H204Cl18N42O44 and a molecular weight of 4153.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2,2-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
PubChem CID167586883
Molecular FormulaC168H204Cl18N42O44
Molecular Weight4153.88 g/mol
Exact Mass4142.94
IUPAC Name2,2,2-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
SMILESC=C1N[C@H]2[C@H](CN3C(=O)CCC3=O)N=C(NC(=O)OCC(Cl)(Cl)Cl)N3C[C@H](NC(=O)c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)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)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)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)c4cccc(C(C)(C)C)c4)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)c4cccc(C)c4)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)c4cccc(CC)c4)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)c4cccc(OC)c4)C(O)(O)[C@]23N1
InChIInChI=1S/C32H42Cl3N7O8.C32H42Cl3N7O7.C28H34Cl3N7O7.C26H30Cl3N7O7.C25H28Cl3N7O8.C25H28Cl3N7O7/c1-15-36-24-19(12-41-21(43)8-9-22(41)44)37-26(39-27(47)50-14-30(33,34)35)42-13-20(32(48,49)31(24,42)40-15)38-25(46)16-10-17(28(2,3)4)23(45)18(11-16)29(5,6)7;1-16-36-24-20(13-41-22(43)8-9-23(41)44)37-26(39-27(46)49-15-30(33,34)35)42-14-21(32(47,48)31(24,42)40-16)38-25(45)17-10-18(28(2,3)4)12-19(11-17)29(5,6)7;1-14-32-21-17(11-37-19(39)8-9-20(37)40)33-23(35-24(42)45-13-26(29,30)31)38-12-18(28(43,44)27(21,38)36-14)34-22(41)15-6-5-7-16(10-15)25(2,3)4;1-3-14-5-4-6-15(9-14)21(39)32-17-11-36-22(33-23(40)43-12-24(27,28)29)31-16(10-35-18(37)7-8-19(35)38)20-25(36,26(17,41)42)34-13(2)30-20;1-12-29-19-15(9-34-17(36)6-7-18(34)37)30-21(32-22(39)43-11-23(26,27)28)35-10-16(25(40,41)24(19,35)33-12)31-20(38)13-4-3-5-14(8-13)42-2;1-12-4-3-5-14(8-12)20(38)31-16-10-35-21(32-22(39)42-11-23(26,27)28)30-15(9-34-17(36)6-7-18(34)37)19-24(35,25(16,40)41)33-13(2)29-19/h10-11,19-20,24,36,40,45,48-49H,1,8-9,12-14H2,2-7H3,(H,38,46)(H,37,39,47);10-12,20-21,24,36,40,47-48H,1,8-9,13-15H2,2-7H3,(H,38,45)(H,37,39,46);5-7,10,17-18,21,32,36,43-44H,1,8-9,11-13H2,2-4H3,(H,34,41)(H,33,35,42);4-6,9,16-17,20,30,34,41-42H,2-3,7-8,10-12H2,1H3,(H,32,39)(H,31,33,40);3-5,8,15-16,19,29,33,40-41H,1,6-7,9-11H2,2H3,(H,31,38)(H,30,32,39);3-5,8,15-16,19,29,33,40-41H,2,6-7,9-11H2,1H3,(H,31,38)(H,30,32,39)/t19-,20-,24-,31-;20-,21-,24-,31-;17-,18-,21-,27-;16-,17-,20-,25-;2*15-,16-,19-,24-/m000000/s1
InChIKeyHXMDNMUFCKXVFA-JMQWUSAQSA-N
XLogP4.04
TPSA1139.04 Ų
H-Bond Donors37
H-Bond Acceptors68
Rotatable Bonds32
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004153.88
LogP ≤ 54.04
H-Bond Donors ≤ 537
H-Bond Acceptors ≤ 1068

Analyze 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 with MolForge

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Related Compounds

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)-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
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)-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-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)-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
N-[(4S,10aR)-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]-3-ethylbenzamide
CID 130344221
2,2,2-trichloroethyl N-[(3aS,4S,10aS)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10-hydroxy-2-methylidene-3,3a,4,8,9,10-hexahydro-1H-pyrrolo[1,2-c]purin-6-yl]carbamate
CID 130335053
N-[(3aS,4S,10S)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10-hydroxy-10-methyl-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-3,5-ditert-butyl-4-hydroxybenzamide
CID 146530840
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]-3-methoxy-5-(trifluoromethyl)benzamide
CID 153469541
N-[(3aS,4S)-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]-2-tert-butyl-3-methylbenzamide
CID 164845841
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]-2-ethyl-3-methylbenzamide
CID 146530684

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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)c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)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)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)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)c4cccc(C(C)(C)C)c4)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)c4cccc(C)c4)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)c4cccc(CC)c4)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)c4cccc(OC)c4)C(O)(O)[C@]23N1.
What is the InChIKey of 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?
The InChIKey is HXMDNMUFCKXVFA-JMQWUSAQSA-N. The full InChI is InChI=1S/C32H42Cl3N7O8.C32H42Cl3N7O7.C28H34Cl3N7O7.C26H30Cl3N7O7.C25H28Cl3N7O8.C25H28Cl3N7O7/c1-15-36-24-19(12-41-21(43)8-9-22(41)44)37-26(39-27(47)50-14-30(33,34)35)42-13-20(32(48,49)31(24,42)40-15)38-25(46)16-10-17(28(2,3)4)23(45)18(11-16)29(5,6)7;1-16-36-24-20(13-41-22(43)8-9-23(41)44)37-26(39-27(46)49-15-30(33,34)35)42-14-21(32(47,48)31(24,42)40-16)38-25(45)17-10-18(28(2,3)4)12-19(11-17)29(5,6)7;1-14-32-21-17(11-37-19(39)8-9-20(37)40)33-23(35-24(42)45-13-26(29,30)31)38-12-18(28(43,44)27(21,38)36-14)34-22(41)15-6-5-7-16(10-15)25(2,3)4;1-3-14-5-4-6-15(9-14)21(39)32-17-11-36-22(33-23(40)43-12-24(27,28)29)31-16(10-35-18(37)7-8-19(35)38)20-25(36,26(17,41)42)34-13(2)30-20;1-12-29-19-15(9-34-17(36)6-7-18(34)37)30-21(32-22(39)43-11-23(26,27)28)35-10-16(25(40,41)24(19,35)33-12)31-20(38)13-4-3-5-14(8-13)42-2;1-12-4-3-5-14(8-12)20(38)31-16-10-35-21(32-22(39)42-11-23(26,27)28)30-15(9-34-17(36)6-7-18(34)37)19-24(35,25(16,40)41)33-13(2)29-19/h10-11,19-20,24,36,40,45,48-49H,1,8-9,12-14H2,2-7H3,(H,38,46)(H,37,39,47);10-12,20-21,24,36,40,47-48H,1,8-9,13-15H2,2-7H3,(H,38,45)(H,37,39,46);5-7,10,17-18,21,32,36,43-44H,1,8-9,11-13H2,2-4H3,(H,34,41)(H,33,35,42);4-6,9,16-17,20,30,34,41-42H,2-3,7-8,10-12H2,1H3,(H,32,39)(H,31,33,40);3-5,8,15-16,19,29,33,40-41H,1,6-7,9-11H2,2H3,(H,31,38)(H,30,32,39);3-5,8,15-16,19,29,33,40-41H,2,6-7,9-11H2,1H3,(H,31,38)(H,30,32,39)/t19-,20-,24-,31-;20-,21-,24-,31-;17-,18-,21-,27-;16-,17-,20-,25-;2*15-,16-,19-,24-/m000000/s1.
What are the key properties of 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?
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 has a molecular weight of 4153.88 g/mol, XLogP of 4.04, 32 rotatable bonds, 37 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167586883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).