cyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C180H244F14N23O58P7 — CID 159971352

IUPACcyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCCC(CC)OC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(F)O[C@@H](n2ccc(C)nc2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1.Cc1ccn([C@@H]2O[C@](F)(COP(=O)(N[C@@H](C)C(=O)OC(C)C)N[C@@H](C)C(=O)OC(C)C)[C@@H](O)[C@@]2(C)F)c(=O)n1.Cc1ccn([C@@H]2O[C@](F)(COP(=O)(N[C@@H](C)C(=O)OC3CCCCC3)N[C@@H](C)C(=O)OC3CCCCC3)[C@@H](O)[C@@]2(C)F)c(=O)n1.Cc1ccn([C@@H]2O[C@](F)(CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3cccc4ccccc34)[C@@H](O)[C@@]2(C)F)c(=O)n1.Cc1ccn([C@@H]2O[C@](F)(CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3ccccc3)[C@@H](O)[C@@]2(C)F)c(=O)n1.Cc1ccn([C@@H]2O[C@](F)(CO[P@@](=O)(N[C@@H](C)C(=O)OC3CCCCC3)Oc3ccccc3)[C@@H](O)[C@@]2(C)F)c(=O)n1.Cc1ccn([C@@H]2O[C@](F)(CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3cccc4ccccc34)[C@@H](O)[C@@]2(C)F)c(=O)n1
InChIInChI=1S/C29H45F2N4O9P.2C27H32F2N3O8P.C26H34F2N3O8P.C25H34F2N3O8P.C23H37F2N4O9P.C23H30F2N3O8P/c1-18-15-16-35(27(39)32-18)26-28(4,30)25(38)29(31,44-26)17-41-45(40,33-19(2)23(36)42-21-11-7-5-8-12-21)34-20(3)24(37)43-22-13-9-6-10-14-22;2*1-16(2)38-22(33)18(4)31-41(36,40-21-12-8-10-19-9-6-7-11-20(19)21)37-15-27(29)23(34)26(5,28)24(39-27)32-14-13-17(3)30-25(32)35;1-17-14-15-31(24(34)29-17)23-25(3,27)22(33)26(28,38-23)16-36-40(35,39-20-12-8-5-9-13-20)30-18(2)21(32)37-19-10-6-4-7-11-19;1-6-18(7-2)36-20(31)17(4)29-39(34,38-19-11-9-8-10-12-19)35-15-25(27)21(32)24(5,26)22(37-25)30-14-13-16(3)28-23(30)33;1-12(2)36-17(30)15(6)27-39(34,28-16(7)18(31)37-13(3)4)35-11-23(25)19(32)22(8,24)20(38-23)29-10-9-14(5)26-21(29)33;1-14(2)34-18(29)16(4)27-37(32,36-17-9-7-6-8-10-17)33-13-23(25)19(30)22(5,24)20(35-23)28-12-11-15(3)26-21(28)31/h15-16,19-22,25-26,38H,5-14,17H2,1-4H3,(H2,33,34,40);2*6-14,16,18,23-24,34H,15H2,1-5H3,(H,31,36);5,8-9,12-15,18-19,22-23,33H,4,6-7,10-11,16H2,1-3H3,(H,30,35);8-14,17-18,21-22,32H,6-7,15H2,1-5H3,(H,29,34);9-10,12-13,15-16,19-20,32H,11H2,1-8H3,(H2,27,28,34);6-12,14,16,19-20,30H,13H2,1-5H3,(H,27,32)/t19-,20-,25-,26+,28+,29+;18-,23-,24+,26+,27+,41+;18-,23-,24+,26+,27+,41-;18-,22-,23+,25+,26+,40-;17-,21-,22+,24+,25+,39-;15-,16-,19-,20+,22+,23+;16-,19-,20+,22+,23+,37-/m0000000/s1
InChIKeyOEOVZIAGDFCESI-SXISVDNLSA-N
MW4140.82 g/mol
LogP24.34
Rot. Bonds76

About cyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

cyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (PubChem CID 159971352) has the molecular formula C180H244F14N23O58P7 and a molecular weight of 4140.82 g/mol. Its IUPAC name is cyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

Compound Namecyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID159971352
Molecular FormulaC180H244F14N23O58P7
Molecular Weight4140.82 g/mol
Exact Mass4138.48
IUPAC Namecyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCCC(CC)OC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(F)O[C@@H](n2ccc(C)nc2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1.Cc1ccn([C@@H]2O[C@](F)(COP(=O)(N[C@@H](C)C(=O)OC(C)C)N[C@@H](C)C(=O)OC(C)C)[C@@H](O)[C@@]2(C)F)c(=O)n1.Cc1ccn([C@@H]2O[C@](F)(COP(=O)(N[C@@H](C)C(=O)OC3CCCCC3)N[C@@H](C)C(=O)OC3CCCCC3)[C@@H](O)[C@@]2(C)F)c(=O)n1.Cc1ccn([C@@H]2O[C@](F)(CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3cccc4ccccc34)[C@@H](O)[C@@]2(C)F)c(=O)n1.Cc1ccn([C@@H]2O[C@](F)(CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3ccccc3)[C@@H](O)[C@@]2(C)F)c(=O)n1.Cc1ccn([C@@H]2O[C@](F)(CO[P@@](=O)(N[C@@H](C)C(=O)OC3CCCCC3)Oc3ccccc3)[C@@H](O)[C@@]2(C)F)c(=O)n1.Cc1ccn([C@@H]2O[C@](F)(CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3cccc4ccccc34)[C@@H](O)[C@@]2(C)F)c(=O)n1
InChIInChI=1S/C29H45F2N4O9P.2C27H32F2N3O8P.C26H34F2N3O8P.C25H34F2N3O8P.C23H37F2N4O9P.C23H30F2N3O8P/c1-18-15-16-35(27(39)32-18)26-28(4,30)25(38)29(31,44-26)17-41-45(40,33-19(2)23(36)42-21-11-7-5-8-12-21)34-20(3)24(37)43-22-13-9-6-10-14-22;2*1-16(2)38-22(33)18(4)31-41(36,40-21-12-8-10-19-9-6-7-11-20(19)21)37-15-27(29)23(34)26(5,28)24(39-27)32-14-13-17(3)30-25(32)35;1-17-14-15-31(24(34)29-17)23-25(3,27)22(33)26(28,38-23)16-36-40(35,39-20-12-8-5-9-13-20)30-18(2)21(32)37-19-10-6-4-7-11-19;1-6-18(7-2)36-20(31)17(4)29-39(34,38-19-11-9-8-10-12-19)35-15-25(27)21(32)24(5,26)22(37-25)30-14-13-16(3)28-23(30)33;1-12(2)36-17(30)15(6)27-39(34,28-16(7)18(31)37-13(3)4)35-11-23(25)19(32)22(8,24)20(38-23)29-10-9-14(5)26-21(29)33;1-14(2)34-18(29)16(4)27-37(32,36-17-9-7-6-8-10-17)33-13-23(25)19(30)22(5,24)20(35-23)28-12-11-15(3)26-21(28)31/h15-16,19-22,25-26,38H,5-14,17H2,1-4H3,(H2,33,34,40);2*6-14,16,18,23-24,34H,15H2,1-5H3,(H,31,36);5,8-9,12-15,18-19,22-23,33H,4,6-7,10-11,16H2,1-3H3,(H,30,35);8-14,17-18,21-22,32H,6-7,15H2,1-5H3,(H,29,34);9-10,12-13,15-16,19-20,32H,11H2,1-8H3,(H2,27,28,34);6-12,14,16,19-20,30H,13H2,1-5H3,(H,27,32)/t19-,20-,25-,26+,28+,29+;18-,23-,24+,26+,27+,41+;18-,23-,24+,26+,27+,41-;18-,22-,23+,25+,26+,40-;17-,21-,22+,24+,25+,39-;15-,16-,19-,20+,22+,23+;16-,19-,20+,22+,23+,37-/m0000000/s1
InChIKeyOEOVZIAGDFCESI-SXISVDNLSA-N
XLogP24.34
TPSA1025.67 Ų
H-Bond Donors16
H-Bond Acceptors72
Rotatable Bonds76
Heavy Atoms282
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004140.82
LogP ≤ 524.34
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1072

Analyze cyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate with MolForge

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What is the IUPAC name of cyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The IUPAC name of cyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (CID 159971352) is cyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.
What is the SMILES notation for cyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The canonical SMILES for cyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is CCC(CC)OC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(F)O[C@@H](n2ccc(C)nc2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1.Cc1ccn([C@@H]2O[C@](F)(COP(=O)(N[C@@H](C)C(=O)OC(C)C)N[C@@H](C)C(=O)OC(C)C)[C@@H](O)[C@@]2(C)F)c(=O)n1.Cc1ccn([C@@H]2O[C@](F)(COP(=O)(N[C@@H](C)C(=O)OC3CCCCC3)N[C@@H](C)C(=O)OC3CCCCC3)[C@@H](O)[C@@]2(C)F)c(=O)n1.Cc1ccn([C@@H]2O[C@](F)(CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3cccc4ccccc34)[C@@H](O)[C@@]2(C)F)c(=O)n1.Cc1ccn([C@@H]2O[C@](F)(CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3ccccc3)[C@@H](O)[C@@]2(C)F)c(=O)n1.Cc1ccn([C@@H]2O[C@](F)(CO[P@@](=O)(N[C@@H](C)C(=O)OC3CCCCC3)Oc3ccccc3)[C@@H](O)[C@@]2(C)F)c(=O)n1.Cc1ccn([C@@H]2O[C@](F)(CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3cccc4ccccc34)[C@@H](O)[C@@]2(C)F)c(=O)n1.
What is the InChIKey of cyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The InChIKey is OEOVZIAGDFCESI-SXISVDNLSA-N. The full InChI is InChI=1S/C29H45F2N4O9P.2C27H32F2N3O8P.C26H34F2N3O8P.C25H34F2N3O8P.C23H37F2N4O9P.C23H30F2N3O8P/c1-18-15-16-35(27(39)32-18)26-28(4,30)25(38)29(31,44-26)17-41-45(40,33-19(2)23(36)42-21-11-7-5-8-12-21)34-20(3)24(37)43-22-13-9-6-10-14-22;2*1-16(2)38-22(33)18(4)31-41(36,40-21-12-8-10-19-9-6-7-11-20(19)21)37-15-27(29)23(34)26(5,28)24(39-27)32-14-13-17(3)30-25(32)35;1-17-14-15-31(24(34)29-17)23-25(3,27)22(33)26(28,38-23)16-36-40(35,39-20-12-8-5-9-13-20)30-18(2)21(32)37-19-10-6-4-7-11-19;1-6-18(7-2)36-20(31)17(4)29-39(34,38-19-11-9-8-10-12-19)35-15-25(27)21(32)24(5,26)22(37-25)30-14-13-16(3)28-23(30)33;1-12(2)36-17(30)15(6)27-39(34,28-16(7)18(31)37-13(3)4)35-11-23(25)19(32)22(8,24)20(38-23)29-10-9-14(5)26-21(29)33;1-14(2)34-18(29)16(4)27-37(32,36-17-9-7-6-8-10-17)33-13-23(25)19(30)22(5,24)20(35-23)28-12-11-15(3)26-21(28)31/h15-16,19-22,25-26,38H,5-14,17H2,1-4H3,(H2,33,34,40);2*6-14,16,18,23-24,34H,15H2,1-5H3,(H,31,36);5,8-9,12-15,18-19,22-23,33H,4,6-7,10-11,16H2,1-3H3,(H,30,35);8-14,17-18,21-22,32H,6-7,15H2,1-5H3,(H,29,34);9-10,12-13,15-16,19-20,32H,11H2,1-8H3,(H2,27,28,34);6-12,14,16,19-20,30H,13H2,1-5H3,(H,27,32)/t19-,20-,25-,26+,28+,29+;18-,23-,24+,26+,27+,41+;18-,23-,24+,26+,27+,41-;18-,22-,23+,25+,26+,40-;17-,21-,22+,24+,25+,39-;15-,16-,19-,20+,22+,23+;16-,19-,20+,22+,23+,37-/m0000000/s1.
What are the key properties of cyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
cyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate has a molecular weight of 4140.82 g/mol, XLogP of 24.34, 76 rotatable bonds, 16 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2S)-2-[[[[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]amino]-[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;pentan-3-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 159971352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).