About [(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;N-[(2R,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(4-phenylmethoxyphenyl)ethyl]carbamate
[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;N-[(2R,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(4-phenylmethoxyphenyl)ethyl]carbamate (PubChem CID 161220913) has the molecular formula C133H176N13O41PS4
and a molecular weight of 2772.16 g/mol. Its IUPAC name is [(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;N-[(2R,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(4-phenylmethoxyphenyl)ethyl]carbamate.
Frequently Asked Questions
What is the IUPAC name of [(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;N-[(2R,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(4-phenylmethoxyphenyl)ethyl]carbamate?
The IUPAC name of [(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;N-[(2R,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(4-phenylmethoxyphenyl)ethyl]carbamate (CID 161220913) is [(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;N-[(2R,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(4-phenylmethoxyphenyl)ethyl]carbamate.
What is the SMILES notation for [(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;N-[(2R,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(4-phenylmethoxyphenyl)ethyl]carbamate?
The canonical SMILES for [(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;N-[(2R,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(4-phenylmethoxyphenyl)ethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)[C@H]1CO1.CC(C)CN(C[C@@H](O)[C@@H](N)Cc1ccc(O)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)O[C@H]1CO[C@H]2OCCC21)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCCC32)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)OCC.
What is the InChIKey of [(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;N-[(2R,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(4-phenylmethoxyphenyl)ethyl]carbamate?
The InChIKey is UXMNBPBOBQAXHZ-AWGKECODSA-N. The full InChI is InChI=1S/C32H46N3O13PS.C32H41N3O8S.C27H35N3O10S.C22H27NO4.C20H27N3O6S/c1-5-46-49(40,47-6-2)21-45-25-11-7-23(8-12-25)17-28(33-32(37)48-30-20-44-31-27(30)15-16-43-31)29(36)19-34(18-22(3)4)50(41,42)26-13-9-24(10-14-26)35(38)39;1-23(2)20-34(44(40,41)28-17-13-26(14-18-28)35(38)39)21-30(36)29(33-31(37)43-32(3,4)5)19-24-11-15-27(16-12-24)42-22-25-9-7-6-8-10-25;1-17(2)14-29(41(36,37)21-9-5-19(6-10-21)30(34)35)15-24(32)23(13-18-3-7-20(31)8-4-18)28-27(33)40-25-16-39-26-22(25)11-12-38-26;1-22(2,3)27-21(24)23-19(20-15-26-20)13-16-9-11-18(12-10-16)25-14-17-7-5-4-6-8-17;1-14(2)12-22(30(28,29)18-9-5-16(6-10-18)23(26)27)13-20(25)19(21)11-15-3-7-17(24)8-4-15/h7-14,22,27-31,36H,5-6,15-21H2,1-4H3,(H,33,37);6-18,23,29-30,36H,19-22H2,1-5H3,(H,33,37);3-10,17,22-26,31-32H,11-16H2,1-2H3,(H,28,33);4-12,19-20H,13-15H2,1-3H3,(H,23,24);3-10,14,19-20,24-25H,11-13,21H2,1-2H3/t27?,28-,29+,30-,31+;29-,30+;22?,23-,24+,25-,26+;2*19-,20+/m00000/s1.
What are the key properties of [(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;N-[(2R,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(4-phenylmethoxyphenyl)ethyl]carbamate?
[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;N-[(2R,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(4-phenylmethoxyphenyl)ethyl]carbamate has a molecular weight of 2772.16 g/mol, XLogP of 18.01, 62 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;N-[(2R,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(4-phenylmethoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 161220913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).