disodium;bis((1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentane-1-carboxylic acid);[(1R,2R,3S,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (2S,3R,4R,5R)-3-acetyloxy-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-5-ethyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,3S,4R,5R)-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate;methane;methanolate;azide

C269H413Cl4N59Na2O68 — CID 158407431

About disodium;bis((1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentane-1-carboxylic acid);[(1R,2R,3S,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (2S,3R,4R,5R)-3-acetyloxy-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-5-ethyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,3S,4R,5R)-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate;methane;methanolate;azide

disodium;bis((1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentane-1-carboxylic acid);[(1R,2R,3S,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (2S,3R,4R,5R)-3-acetyloxy-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-5-ethyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,3S,4R,5R)-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate;methane;methanolate;azide (PubChem CID 158407431) has the molecular formula C269H413Cl4N59Na2O68 and a molecular weight of 5749.40 g/mol. Its IUPAC name is disodium;bis((1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentane-1-carboxylic acid);[(1R,2R,3S,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (2S,3R,4R,5R)-3-acetyloxy-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-5-ethyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,3S,4R,5R)-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate;methane;methanolate;azide.

Molecular Properties

• Compound Name: disodium;bis((1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentane-1-carboxylic acid);[(1R,2R,3S,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (2S,3R,4R,5R)-3-acetyloxy-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-5-ethyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,3S,4R,5R)-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate;methane;methanolate;azide
• PubChem CID: 158407431
• Molecular Formula: C269H413Cl4N59Na2O68
• Molecular Weight: 5749.40 g/mol
• Exact Mass: 5743.92
• IUPAC Name: disodium;bis((1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentane-1-carboxylic acid);[(1R,2R,3S,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (2S,3R,4R,5R)-3-acetyloxy-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-5-ethyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,3S,4R,5R)-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate;methane;methanolate;azide
• SMILES: C.C.C.CC(C)(C)OC(=O)N1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1C1=CCc2c(Cl)ncnc21.CC(C)(C)OC(=O)N1[C@H](CO)[C@H]2OC(C)(C)O[C@H]2[C@@H]1c1c[nH]c2c(Cl)ncnc12.CC(C)(C)OC(=O)N1[C@H](CO)[C@H]2OC(C)(C)O[C@H]2[C@@H]1c1c[nH]c2c(N=[N+]=[N-])ncnc12.CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1/N=C(\C)NC(=O)OC(C)(C)C.CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1/N=C(\C)NC(=O)OC(C)(C)C.CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)OC[C@@H]2[C@H]3OC(C)(C)O[C@H]3[C@H](c3c[nH]c4c(Cl)ncnc34)N2C(=O)OC(C)(C)C)C[C@H]1/N=C(\C)NC(=O)OC(C)(C)C.CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)OC[C@@H]2[C@H]3OC(C)(C)O[C@H]3[C@H](c3c[nH]c4c(N)ncnc34)N2C(=O)OC(C)(C)C)C[C@H]1/N=C(\C)NC(=O)OC(C)(C)C.CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)OC[C@@H]2[C@H]3OC(C)(C)O[C@H]3[C@H](c3c[nH]c4c(N=[N+]=[N-])ncnc34)N2C(=O)OC(C)(C)C)C[C@H]1/N=C(\C)NC(=O)OC(C)(C)C.CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)OC[C@H]2C[C@@H](c3c[nH]c4c(N)ncnc34)[C@H](O)[C@@H]2O)C[C@H]1N=C(N)N.CC[C@@H]1[C@@H](C)[C@@H](OC(C)=O)[C@H](C2=CCc3c(Cl)ncnc32)N1C(=O)OC(C)(C)C.C[O-].[N-]=[N+]=[N-].[Na+].[Na+]
• InChI: InChI=1S/C40H60ClN7O10.C40H60N10O10.C40H62N8O10.C27H42N8O6.C21H28ClN3O4.2C21H37N3O6.C19H25ClN4O5.C19H25N7O5.C17H22ClN3O5.CH3O.3CH4.N3.2Na/c1-13-21(14-2)27(47-20(4)49)26-24(45-19(3)46-36(52)57-38(5,6)7)15-22(31(26)50)35(51)54-17-25-32-33(56-40(11,12)55-32)30(48(25)37(53)58-39(8,9)10)23-16-42-29-28(23)43-18-44-34(29)41;1-13-21(14-2)27(47-20(4)51)26-24(45-19(3)46-36(54)59-38(5,6)7)15-22(31(26)52)35(53)56-17-25-32-33(58-40(11,12)57-32)30(50(25)37(55)60-39(8,9)10)23-16-42-29-28(23)43-18-44-34(29)48-49-41;1-13-21(14-2)27(47-20(4)49)26-24(45-19(3)46-36(52)57-38(5,6)7)15-22(31(26)50)35(51)54-17-25-32-33(56-40(11,12)55-32)30(48(25)37(53)58-39(8,9)10)23-16-42-29-28(23)43-18-44-34(29)41;1-4-12(5-2)19(34-11(3)36)18-17(35-27(29)30)7-15(23(18)38)26(40)41-9-13-6-14(24(39)22(13)37)16-8-31-21-20(16)32-10-33-25(21)28;1-7-15-11(2)18(28-12(3)26)17(25(15)20(27)29-21(4,5)6)13-8-9-14-16(13)23-10-24-19(14)22;2*1-8-13(9-2)17(24-12(4)25)16-15(10-14(18(16)26)19(27)28)22-11(3)23-20(29)30-21(5,6)7;1-18(2,3)29-17(26)24-10(7-25)14-15(28-19(4,5)27-14)13(24)9-6-21-12-11(9)22-8-23-16(12)20;1-18(2,3)31-17(28)26-10(7-27)14-15(30-19(4,5)29-14)13(26)9-6-21-12-11(9)22-8-23-16(12)24-25-20;1-17(2,3)26-16(25)21-10(6-22)13(23)14(24)12(21)8-4-5-9-11(8)19-7-20-15(9)18;1-2;;;;1-3-2;;/h16,18,21-22,24-27,30-33,42,50H,13-15,17H2,1-12H3,(H,47,49)(H,45,46,52);16,18,21-22,24-27,30-33,42,52H,13-15,17H2,1-12H3,(H,47,51)(H,45,46,54);16,18,21-22,24-27,30-33,42,50H,13-15,17H2,1-12H3,(H,47,49)(H2,41,43,44)(H,45,46,52);8,10,12-15,17-19,22-24,31,37-39H,4-7,9H2,1-3H3,(H,34,36)(H2,28,32,33)(H4,29,30,35);8,10-11,15,17-18H,7,9H2,1-6H3;2*13-18,26H,8-10H2,1-7H3,(H,24,25)(H,27,28)(H,22,23,29);6,8,10,13-15,21,25H,7H2,1-5H3;6,8,10,13-15,21,27H,7H2,1-5H3;4,7,10,12-14,22-24H,5-6H2,1-3H3;1H3;3*1H4;;;/q;;;;;;;;;;-1;;;;-1;2*+1/t3*22-,24+,25+,26+,27-,30-,31+,32+,33-;13-,14+,15+,17-,18-,19+,22-,23-,24+;11-,15-,17+,18-;2*14-,15+,16+,17-,18+;2*10-,13+,14-,15+;10-,12+,13-,14+;;;;;;;/m0001100111......./s1
• InChIKey: FHEYVHAFAVWSDQ-FOZQGIQUSA-N
• XLogP: 26.52
• TPSA: 1792.92 Ų
• H-Bond Donors: 36
• H-Bond Acceptors: 92
• Rotatable Bonds: 65
• Heavy Atoms: 402
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5749.40
LogP ≤ 5	26.52
H-Bond Donors ≤ 5	36
H-Bond Acceptors ≤ 10	92

Frequently Asked Questions

What is the IUPAC name of disodium;bis((1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentane-1-carboxylic acid);[(1R,2R,3S,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (2S,3R,4R,5R)-3-acetyloxy-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-5-ethyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,3S,4R,5R)-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate;methane;methanolate;azide?

The IUPAC name of disodium;bis((1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentane-1-carboxylic acid);[(1R,2R,3S,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (2S,3R,4R,5R)-3-acetyloxy-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-5-ethyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,3S,4R,5R)-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate;methane;methanolate;azide (CID 158407431) is disodium;bis((1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentane-1-carboxylic acid);[(1R,2R,3S,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (2S,3R,4R,5R)-3-acetyloxy-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-5-ethyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,3S,4R,5R)-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate;methane;methanolate;azide.

What is the SMILES notation for disodium;bis((1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentane-1-carboxylic acid);[(1R,2R,3S,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (2S,3R,4R,5R)-3-acetyloxy-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-5-ethyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,3S,4R,5R)-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate;methane;methanolate;azide?

The canonical SMILES for disodium;bis((1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentane-1-carboxylic acid);[(1R,2R,3S,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (2S,3R,4R,5R)-3-acetyloxy-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-5-ethyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,3S,4R,5R)-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate;methane;methanolate;azide is C.C.C.CC(C)(C)OC(=O)N1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1C1=CCc2c(Cl)ncnc21.CC(C)(C)OC(=O)N1[C@H](CO)[C@H]2OC(C)(C)O[C@H]2[C@@H]1c1c[nH]c2c(Cl)ncnc12.CC(C)(C)OC(=O)N1[C@H](CO)[C@H]2OC(C)(C)O[C@H]2[C@@H]1c1c[nH]c2c(N=[N+]=[N-])ncnc12.CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1/N=C(\C)NC(=O)OC(C)(C)C.CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1/N=C(\C)NC(=O)OC(C)(C)C.CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)OC[C@@H]2[C@H]3OC(C)(C)O[C@H]3[C@H](c3c[nH]c4c(Cl)ncnc34)N2C(=O)OC(C)(C)C)C[C@H]1/N=C(\C)NC(=O)OC(C)(C)C.CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)OC[C@@H]2[C@H]3OC(C)(C)O[C@H]3[C@H](c3c[nH]c4c(N)ncnc34)N2C(=O)OC(C)(C)C)C[C@H]1/N=C(\C)NC(=O)OC(C)(C)C.CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)OC[C@@H]2[C@H]3OC(C)(C)O[C@H]3[C@H](c3c[nH]c4c(N=[N+]=[N-])ncnc34)N2C(=O)OC(C)(C)C)C[C@H]1/N=C(\C)NC(=O)OC(C)(C)C.CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)OC[C@H]2C[C@@H](c3c[nH]c4c(N)ncnc34)[C@H](O)[C@@H]2O)C[C@H]1N=C(N)N.CC[C@@H]1[C@@H](C)[C@@H](OC(C)=O)[C@H](C2=CCc3c(Cl)ncnc32)N1C(=O)OC(C)(C)C.C[O-].[N-]=[N+]=[N-].[Na+].[Na+].

What is the InChIKey of disodium;bis((1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentane-1-carboxylic acid);[(1R,2R,3S,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (2S,3R,4R,5R)-3-acetyloxy-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-5-ethyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,3S,4R,5R)-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate;methane;methanolate;azide?

The InChIKey is FHEYVHAFAVWSDQ-FOZQGIQUSA-N. The full InChI is InChI=1S/C40H60ClN7O10.C40H60N10O10.C40H62N8O10.C27H42N8O6.C21H28ClN3O4.2C21H37N3O6.C19H25ClN4O5.C19H25N7O5.C17H22ClN3O5.CH3O.3CH4.N3.2Na/c1-13-21(14-2)27(47-20(4)49)26-24(45-19(3)46-36(52)57-38(5,6)7)15-22(31(26)50)35(51)54-17-25-32-33(56-40(11,12)55-32)30(48(25)37(53)58-39(8,9)10)23-16-42-29-28(23)43-18-44-34(29)41;1-13-21(14-2)27(47-20(4)51)26-24(45-19(3)46-36(54)59-38(5,6)7)15-22(31(26)52)35(53)56-17-25-32-33(58-40(11,12)57-32)30(50(25)37(55)60-39(8,9)10)23-16-42-29-28(23)43-18-44-34(29)48-49-41;1-13-21(14-2)27(47-20(4)49)26-24(45-19(3)46-36(52)57-38(5,6)7)15-22(31(26)50)35(51)54-17-25-32-33(56-40(11,12)55-32)30(48(25)37(53)58-39(8,9)10)23-16-42-29-28(23)43-18-44-34(29)41;1-4-12(5-2)19(34-11(3)36)18-17(35-27(29)30)7-15(23(18)38)26(40)41-9-13-6-14(24(39)22(13)37)16-8-31-21-20(16)32-10-33-25(21)28;1-7-15-11(2)18(28-12(3)26)17(25(15)20(27)29-21(4,5)6)13-8-9-14-16(13)23-10-24-19(14)22;2*1-8-13(9-2)17(24-12(4)25)16-15(10-14(18(16)26)19(27)28)22-11(3)23-20(29)30-21(5,6)7;1-18(2,3)29-17(26)24-10(7-25)14-15(28-19(4,5)27-14)13(24)9-6-21-12-11(9)22-8-23-16(12)20;1-18(2,3)31-17(28)26-10(7-27)14-15(30-19(4,5)29-14)13(26)9-6-21-12-11(9)22-8-23-16(12)24-25-20;1-17(2,3)26-16(25)21-10(6-22)13(23)14(24)12(21)8-4-5-9-11(8)19-7-20-15(9)18;1-2;;;;1-3-2;;/h16,18,21-22,24-27,30-33,42,50H,13-15,17H2,1-12H3,(H,47,49)(H,45,46,52);16,18,21-22,24-27,30-33,42,52H,13-15,17H2,1-12H3,(H,47,51)(H,45,46,54);16,18,21-22,24-27,30-33,42,50H,13-15,17H2,1-12H3,(H,47,49)(H2,41,43,44)(H,45,46,52);8,10,12-15,17-19,22-24,31,37-39H,4-7,9H2,1-3H3,(H,34,36)(H2,28,32,33)(H4,29,30,35);8,10-11,15,17-18H,7,9H2,1-6H3;2*13-18,26H,8-10H2,1-7H3,(H,24,25)(H,27,28)(H,22,23,29);6,8,10,13-15,21,25H,7H2,1-5H3;6,8,10,13-15,21,27H,7H2,1-5H3;4,7,10,12-14,22-24H,5-6H2,1-3H3;1H3;3*1H4;;;/q;;;;;;;;;;-1;;;;-1;2*+1/t3*22-,24+,25+,26+,27-,30-,31+,32+,33-;13-,14+,15+,17-,18-,19+,22-,23-,24+;11-,15-,17+,18-;2*14-,15+,16+,17-,18+;2*10-,13+,14-,15+;10-,12+,13-,14+;;;;;;;/m0001100111......./s1.

What are the key properties of disodium;bis((1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentane-1-carboxylic acid);[(1R,2R,3S,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (2S,3R,4R,5R)-3-acetyloxy-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-5-ethyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,3S,4R,5R)-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate;methane;methanolate;azide?

disodium;bis((1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentane-1-carboxylic acid);[(1R,2R,3S,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (2S,3R,4R,5R)-3-acetyloxy-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-5-ethyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,3S,4R,5R)-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate;methane;methanolate;azide has a molecular weight of 5749.40 g/mol, XLogP of 26.52, 65 rotatable bonds, 36 hydrogen bond donors, and 92 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;bis((1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentane-1-carboxylic acid);[(1R,2R,3S,4S)-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-6-[[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]cyclopentanecarbonyl]oxymethyl]-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-azido-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aS,4S,6R,6aR)-4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (2S,3R,4R,5R)-3-acetyloxy-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-5-ethyl-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,3S,4R,5R)-2-(4-chloro-5H-cyclopenta[d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate;methane;methanolate;azide is sourced from PubChem (CID 158407431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).