2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(aminomethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(azetidin-3-yl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(1R,2R,3S,4S)-4-cyano-2,3-dihydroxy-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-cyclopropyl-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(oxetan-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(trifluoromethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(fluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C231H313F6N35O64P8 — CID 167662660

About 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(aminomethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(azetidin-3-yl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(1R,2R,3S,4S)-4-cyano-2,3-dihydroxy-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-cyclopropyl-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(oxetan-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(trifluoromethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(fluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(aminomethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(azetidin-3-yl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(1R,2R,3S,4S)-4-cyano-2,3-dihydroxy-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-cyclopropyl-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(oxetan-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(trifluoromethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(fluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (PubChem CID 167662660) has the molecular formula C231H313F6N35O64P8 and a molecular weight of 4966.01 g/mol. Its IUPAC name is 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(aminomethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(azetidin-3-yl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(1R,2R,3S,4S)-4-cyano-2,3-dihydroxy-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-cyclopropyl-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(oxetan-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(trifluoromethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(fluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

• Compound Name: 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(aminomethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(azetidin-3-yl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(1R,2R,3S,4S)-4-cyano-2,3-dihydroxy-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-cyclopropyl-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(oxetan-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(trifluoromethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(fluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
• PubChem CID: 167662660
• Molecular Formula: C231H313F6N35O64P8
• Molecular Weight: 4966.01 g/mol
• Exact Mass: 4963.01
• IUPAC Name: 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(aminomethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(azetidin-3-yl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(1R,2R,3S,4S)-4-cyano-2,3-dihydroxy-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-cyclopropyl-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(oxetan-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(trifluoromethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(fluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
• SMILES: CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1C[C@@](C#N)(c2ccc3c(C)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1.CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](CF)(c2ccc3c(C)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1.CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](CN)(c2ccc3c(C)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1.CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](c2ccc3c(C)ncnn23)(C(F)(F)F)[C@H](O)[C@@H]1O)Oc1ccccc1.CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](c2ccc3c(C)ncnn23)(C(F)F)[C@H](O)[C@@H]1O)Oc1ccccc1.CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](c2ccc3c(C)ncnn23)(C2CC2)[C@H](O)[C@@H]1O)Oc1ccccc1.CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](c2ccc3c(C)ncnn23)(C2CNC2)[C@H](O)[C@@H]1O)Oc1ccccc1.CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](c2ccc3c(C)ncnn23)(C2COC2)[C@H](O)[C@@H]1O)Oc1ccccc1
• InChI: InChI=1S/C30H42N5O8P.C30H41N4O9P.C30H41N4O8P.C29H38N5O7P.C28H36F3N4O8P.C28H37F2N4O8P.C28H38FN4O8P.C28H40N5O8P/c1-5-21(6-2)16-40-29(38)20(4)34-44(39,43-23-10-8-7-9-11-23)41-17-25-27(36)28(37)30(42-25,22-14-31-15-22)26-13-12-24-19(3)32-18-33-35(24)26;1-5-21(6-2)14-40-29(37)20(4)33-44(38,43-23-10-8-7-9-11-23)41-17-25-27(35)28(36)30(42-25,22-15-39-16-22)26-13-12-24-19(3)31-18-32-34(24)26;1-5-21(6-2)16-39-29(37)20(4)33-43(38,42-23-10-8-7-9-11-23)40-17-25-27(35)28(36)30(41-25,22-12-13-22)26-15-14-24-19(3)31-18-32-34(24)26;1-5-21(6-2)15-39-28(37)20(4)33-42(38,41-23-10-8-7-9-11-23)40-16-22-14-29(17-30,27(36)26(22)35)25-13-12-24-19(3)31-18-32-34(24)25;1-5-19(6-2)14-40-26(38)18(4)34-44(39,43-20-10-8-7-9-11-20)41-15-22-24(36)25(37)27(42-22,28(29,30)31)23-13-12-21-17(3)32-16-33-35(21)23;1-5-19(6-2)14-39-26(37)18(4)33-43(38,42-20-10-8-7-9-11-20)40-15-22-24(35)25(36)28(41-22,27(29)30)23-13-12-21-17(3)31-16-32-34(21)23;2*1-5-20(6-2)14-38-27(36)19(4)32-42(37,41-21-10-8-7-9-11-21)39-15-23-25(34)26(35)28(16-29,40-23)24-13-12-22-18(3)30-17-31-33(22)24/h7-13,18,20-22,25,27-28,31,36-37H,5-6,14-17H2,1-4H3,(H,34,39);7-13,18,20-22,25,27-28,35-36H,5-6,14-17H2,1-4H3,(H,33,38);7-11,14-15,18,20-22,25,27-28,35-36H,5-6,12-13,16-17H2,1-4H3,(H,33,38);7-13,18,20-22,26-27,35-36H,5-6,14-16H2,1-4H3,(H,33,38);7-13,16,18-19,22,24-25,36-37H,5-6,14-15H2,1-4H3,(H,34,39);7-13,16,18-19,22,24-25,27,35-36H,5-6,14-15H2,1-4H3,(H,33,38);7-13,17,19-20,23,25-26,34-35H,5-6,14-16H2,1-4H3,(H,32,37);7-13,17,19-20,23,25-26,34-35H,5-6,14-16,29H2,1-4H3,(H,32,37)/t2*20-,25+,27+,28+,30-,44-;20-,25+,27+,28+,30-,43-;20-,22+,26+,27+,29+,42-;18-,22+,24+,25+,27-,44-;18-,22+,24+,25+,28-,43-;2*19-,23+,25+,26+,28-,42-/m00000000/s1
• InChIKey: SEDCRWOXIBCYQB-ODYALXPWSA-N
• XLogP: 27.34
• TPSA: 1291.76 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 91
• Rotatable Bonds: 110
• Heavy Atoms: 344
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4966.01
LogP ≤ 5	27.34
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	91

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(aminomethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(azetidin-3-yl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(1R,2R,3S,4S)-4-cyano-2,3-dihydroxy-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-cyclopropyl-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(oxetan-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(trifluoromethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(fluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

The IUPAC name of 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(aminomethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(azetidin-3-yl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(1R,2R,3S,4S)-4-cyano-2,3-dihydroxy-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-cyclopropyl-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(oxetan-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(trifluoromethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(fluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (CID 167662660) is 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(aminomethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(azetidin-3-yl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(1R,2R,3S,4S)-4-cyano-2,3-dihydroxy-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-cyclopropyl-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(oxetan-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(trifluoromethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(fluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

What is the SMILES notation for 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(aminomethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(azetidin-3-yl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(1R,2R,3S,4S)-4-cyano-2,3-dihydroxy-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-cyclopropyl-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(oxetan-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(trifluoromethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(fluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

The canonical SMILES for 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(aminomethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(azetidin-3-yl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(1R,2R,3S,4S)-4-cyano-2,3-dihydroxy-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-cyclopropyl-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(oxetan-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(trifluoromethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(fluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1C[C@@](C#N)(c2ccc3c(C)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1.CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](CF)(c2ccc3c(C)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1.CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](CN)(c2ccc3c(C)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1.CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](c2ccc3c(C)ncnn23)(C(F)(F)F)[C@H](O)[C@@H]1O)Oc1ccccc1.CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](c2ccc3c(C)ncnn23)(C(F)F)[C@H](O)[C@@H]1O)Oc1ccccc1.CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](c2ccc3c(C)ncnn23)(C2CC2)[C@H](O)[C@@H]1O)Oc1ccccc1.CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](c2ccc3c(C)ncnn23)(C2CNC2)[C@H](O)[C@@H]1O)Oc1ccccc1.CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](c2ccc3c(C)ncnn23)(C2COC2)[C@H](O)[C@@H]1O)Oc1ccccc1.

What is the InChIKey of 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(aminomethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(azetidin-3-yl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(1R,2R,3S,4S)-4-cyano-2,3-dihydroxy-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-cyclopropyl-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(oxetan-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(trifluoromethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(fluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

The InChIKey is SEDCRWOXIBCYQB-ODYALXPWSA-N. The full InChI is InChI=1S/C30H42N5O8P.C30H41N4O9P.C30H41N4O8P.C29H38N5O7P.C28H36F3N4O8P.C28H37F2N4O8P.C28H38FN4O8P.C28H40N5O8P/c1-5-21(6-2)16-40-29(38)20(4)34-44(39,43-23-10-8-7-9-11-23)41-17-25-27(36)28(37)30(42-25,22-14-31-15-22)26-13-12-24-19(3)32-18-33-35(24)26;1-5-21(6-2)14-40-29(37)20(4)33-44(38,43-23-10-8-7-9-11-23)41-17-25-27(35)28(36)30(42-25,22-15-39-16-22)26-13-12-24-19(3)31-18-32-34(24)26;1-5-21(6-2)16-39-29(37)20(4)33-43(38,42-23-10-8-7-9-11-23)40-17-25-27(35)28(36)30(41-25,22-12-13-22)26-15-14-24-19(3)31-18-32-34(24)26;1-5-21(6-2)15-39-28(37)20(4)33-42(38,41-23-10-8-7-9-11-23)40-16-22-14-29(17-30,27(36)26(22)35)25-13-12-24-19(3)31-18-32-34(24)25;1-5-19(6-2)14-40-26(38)18(4)34-44(39,43-20-10-8-7-9-11-20)41-15-22-24(36)25(37)27(42-22,28(29,30)31)23-13-12-21-17(3)32-16-33-35(21)23;1-5-19(6-2)14-39-26(37)18(4)33-43(38,42-20-10-8-7-9-11-20)40-15-22-24(35)25(36)28(41-22,27(29)30)23-13-12-21-17(3)31-16-32-34(21)23;2*1-5-20(6-2)14-38-27(36)19(4)32-42(37,41-21-10-8-7-9-11-21)39-15-23-25(34)26(35)28(16-29,40-23)24-13-12-22-18(3)30-17-31-33(22)24/h7-13,18,20-22,25,27-28,31,36-37H,5-6,14-17H2,1-4H3,(H,34,39);7-13,18,20-22,25,27-28,35-36H,5-6,14-17H2,1-4H3,(H,33,38);7-11,14-15,18,20-22,25,27-28,35-36H,5-6,12-13,16-17H2,1-4H3,(H,33,38);7-13,18,20-22,26-27,35-36H,5-6,14-16H2,1-4H3,(H,33,38);7-13,16,18-19,22,24-25,36-37H,5-6,14-15H2,1-4H3,(H,34,39);7-13,16,18-19,22,24-25,27,35-36H,5-6,14-15H2,1-4H3,(H,33,38);7-13,17,19-20,23,25-26,34-35H,5-6,14-16H2,1-4H3,(H,32,37);7-13,17,19-20,23,25-26,34-35H,5-6,14-16,29H2,1-4H3,(H,32,37)/t2*20-,25+,27+,28+,30-,44-;20-,25+,27+,28+,30-,43-;20-,22+,26+,27+,29+,42-;18-,22+,24+,25+,27-,44-;18-,22+,24+,25+,28-,43-;2*19-,23+,25+,26+,28-,42-/m00000000/s1.

What are the key properties of 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(aminomethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(azetidin-3-yl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(1R,2R,3S,4S)-4-cyano-2,3-dihydroxy-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-cyclopropyl-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(oxetan-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(trifluoromethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(fluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(aminomethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(azetidin-3-yl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(1R,2R,3S,4S)-4-cyano-2,3-dihydroxy-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-cyclopropyl-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(oxetan-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(trifluoromethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(fluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate has a molecular weight of 4966.01 g/mol, XLogP of 27.34, 110 rotatable bonds, 26 hydrogen bond donors, and 91 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(aminomethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(azetidin-3-yl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(1R,2R,3S,4S)-4-cyano-2,3-dihydroxy-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)cyclopentyl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-cyclopropyl-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(oxetan-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(trifluoromethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(fluoromethyl)-3,4-dihydroxy-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 167662660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).