N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide

C126H168N16O28P4 — CID 158887857

IUPACN-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide
SMILESCC[C@H]1O[C@@H](n2cc(C)c(NC(=O)C(C)C)nc2=O)C(OCCOC)[C@H]1O[P@@]1O[C@@](C)(c2ccccc2)[C@H]2CCCN21.CC[C@H]1O[C@@H](n2cc(C)c(NC(=O)C(C)C)nc2=O)C(OCCOC)[C@H]1O[P@]1O[C@](C)(c2ccccc2)[C@@H]2CCCN21.CC[C@H]1O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)C(OCCOC)[C@H]1O[P@@]1O[C@@](C)(c2ccccc2)[C@H]2CCCN21.CC[C@H]1O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)C(OCCOC)[C@H]1O[P@]1O[C@](C)(c2ccccc2)[C@@H]2CCCN21
InChIInChI=1S/2C33H41N4O7P.2C30H43N4O7P/c2*1-5-25-27(43-45-37-18-12-17-26(37)33(3,44-45)24-15-10-7-11-16-24)28(41-20-19-40-4)31(42-25)36-21-22(2)29(35-32(36)39)34-30(38)23-13-8-6-9-14-23;2*1-7-22-24(40-42-34-15-11-14-23(34)30(5,41-42)21-12-9-8-10-13-21)25(38-17-16-37-6)28(39-22)33-18-20(4)26(32-29(33)36)31-27(35)19(2)3/h2*6-11,13-16,21,25-28,31H,5,12,17-20H2,1-4H3,(H,34,35,38,39);2*8-10,12-13,18-19,22-25,28H,7,11,14-17H2,1-6H3,(H,31,32,35,36)/t25-,26+,27+,28?,31-,33-,45-;25-,26-,27+,28?,31-,33+,45+;22-,23+,24+,25?,28-,30-,42-;22-,23-,24+,25?,28-,30+,42+/m1111/s1
InChIKeyJDVWPXZTGAMHGX-CODJAGDVSA-N
MW2478.71 g/mol
LogP19.34
Rot. Bonds44

About N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide

N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide (PubChem CID 158887857) has the molecular formula C126H168N16O28P4 and a molecular weight of 2478.71 g/mol. Its IUPAC name is N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide
PubChem CID158887857
Molecular FormulaC126H168N16O28P4
Molecular Weight2478.71 g/mol
Exact Mass2477.12
IUPAC NameN-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide
SMILESCC[C@H]1O[C@@H](n2cc(C)c(NC(=O)C(C)C)nc2=O)C(OCCOC)[C@H]1O[P@@]1O[C@@](C)(c2ccccc2)[C@H]2CCCN21.CC[C@H]1O[C@@H](n2cc(C)c(NC(=O)C(C)C)nc2=O)C(OCCOC)[C@H]1O[P@]1O[C@](C)(c2ccccc2)[C@@H]2CCCN21.CC[C@H]1O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)C(OCCOC)[C@H]1O[P@@]1O[C@@](C)(c2ccccc2)[C@H]2CCCN21.CC[C@H]1O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)C(OCCOC)[C@H]1O[P@]1O[C@](C)(c2ccccc2)[C@@H]2CCCN21
InChIInChI=1S/2C33H41N4O7P.2C30H43N4O7P/c2*1-5-25-27(43-45-37-18-12-17-26(37)33(3,44-45)24-15-10-7-11-16-24)28(41-20-19-40-4)31(42-25)36-21-22(2)29(35-32(36)39)34-30(38)23-13-8-6-9-14-23;2*1-7-22-24(40-42-34-15-11-14-23(34)30(5,41-42)21-12-9-8-10-13-21)25(38-17-16-37-6)28(39-22)33-18-20(4)26(32-29(33)36)31-27(35)19(2)3/h2*6-11,13-16,21,25-28,31H,5,12,17-20H2,1-4H3,(H,34,35,38,39);2*8-10,12-13,18-19,22-25,28H,7,11,14-17H2,1-6H3,(H,31,32,35,36)/t25-,26+,27+,28?,31-,33-,45-;25-,26-,27+,28?,31-,33+,45+;22-,23+,24+,25?,28-,30-,42-;22-,23-,24+,25?,28-,30+,42+/m1111/s1
InChIKeyJDVWPXZTGAMHGX-CODJAGDVSA-N
XLogP19.34
TPSA453.52 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds44
Heavy Atoms174
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002478.71
LogP ≤ 519.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide (CID 158887857) is N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide is CC[C@H]1O[C@@H](n2cc(C)c(NC(=O)C(C)C)nc2=O)C(OCCOC)[C@H]1O[P@@]1O[C@@](C)(c2ccccc2)[C@H]2CCCN21.CC[C@H]1O[C@@H](n2cc(C)c(NC(=O)C(C)C)nc2=O)C(OCCOC)[C@H]1O[P@]1O[C@](C)(c2ccccc2)[C@@H]2CCCN21.CC[C@H]1O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)C(OCCOC)[C@H]1O[P@@]1O[C@@](C)(c2ccccc2)[C@H]2CCCN21.CC[C@H]1O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)C(OCCOC)[C@H]1O[P@]1O[C@](C)(c2ccccc2)[C@@H]2CCCN21.
What is the InChIKey of N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide?
The InChIKey is JDVWPXZTGAMHGX-CODJAGDVSA-N. The full InChI is InChI=1S/2C33H41N4O7P.2C30H43N4O7P/c2*1-5-25-27(43-45-37-18-12-17-26(37)33(3,44-45)24-15-10-7-11-16-24)28(41-20-19-40-4)31(42-25)36-21-22(2)29(35-32(36)39)34-30(38)23-13-8-6-9-14-23;2*1-7-22-24(40-42-34-15-11-14-23(34)30(5,41-42)21-12-9-8-10-13-21)25(38-17-16-37-6)28(39-22)33-18-20(4)26(32-29(33)36)31-27(35)19(2)3/h2*6-11,13-16,21,25-28,31H,5,12,17-20H2,1-4H3,(H,34,35,38,39);2*8-10,12-13,18-19,22-25,28H,7,11,14-17H2,1-6H3,(H,31,32,35,36)/t25-,26+,27+,28?,31-,33-,45-;25-,26-,27+,28?,31-,33+,45+;22-,23+,24+,25?,28-,30-,42-;22-,23-,24+,25?,28-,30+,42+/m1111/s1.
What are the key properties of N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide?
N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide has a molecular weight of 2478.71 g/mol, XLogP of 19.34, 44 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,4S,5R)-4-[[(1S,3S,3aR)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide;N-[1-[(2R,4S,5R)-4-[[(1R,3R,3aS)-3-methyl-3-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 158887857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).