N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-(4-methoxybutoxy)pyridine-3-carboxamide;N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carboxamide;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-(4-methoxybutoxy)pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;methane

C195H308N20O66 — CID 165035685

About N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-(4-methoxybutoxy)pyridine-3-carboxamide;N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carboxamide;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-(4-methoxybutoxy)pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;methane

N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-(4-methoxybutoxy)pyridine-3-carboxamide;N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carboxamide;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-(4-methoxybutoxy)pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;methane (PubChem CID 165035685) has the molecular formula C195H308N20O66 and a molecular weight of 3988.68 g/mol. Its IUPAC name is N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-(4-methoxybutoxy)pyridine-3-carboxamide;N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carboxamide;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-(4-methoxybutoxy)pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;methane.

Molecular Properties

• Compound Name: N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-(4-methoxybutoxy)pyridine-3-carboxamide;N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carboxamide;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-(4-methoxybutoxy)pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;methane
• PubChem CID: 165035685
• Molecular Formula: C195H308N20O66
• Molecular Weight: 3988.68 g/mol
• Exact Mass: 3986.14
• IUPAC Name: N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-(4-methoxybutoxy)pyridine-3-carboxamide;N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carboxamide;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-(4-methoxybutoxy)pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;methane
• SMILES: C.CCC1CC(C(=O)CCCNC(=O)c2ccc(OCCCCOC)nc2)C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)N3CCC3)C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O.CCC1CC(C(=O)CCCNC(=O)c2ccc(OCCCCOC)nc2)C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O.CCC1CC(C(=O)CCCNC(=O)c2ccc(OCc3cn(CCCOC)nn3)nc2)C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)N3CCC3)C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O.CCC1CC(C(=O)CCCNC(=O)c2ccc(OCc3cn(CCCOC)nn3)nc2)C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O
• InChI: InChI=1S/C51H79N7O16.C49H78N4O16.C48H74N6O17.C46H73N3O17.CH4/c1-5-32-23-34(36(61)14-9-17-52-48(66)33-15-16-40(53-25-33)69-28-35-26-58(56-55-35)20-11-21-68-4)24-37(46(32)74-51-45(65)44(64)42(62)29(2)70-51)72-50-41(54-30(3)60)47(43(63)39(27-59)73-50)71-38(49(67)57-18-10-19-57)22-31-12-7-6-8-13-31;1-5-31-24-33(34(56)15-11-18-50-46(61)32-16-17-38(51-26-32)64-22-10-9-21-63-4)25-35(44(31)69-49-43(60)42(59)40(57)28(2)65-49)67-48-39(52-29(3)55)45(41(58)37(27-54)68-48)66-36(47(62)53-19-12-20-53)23-30-13-7-6-8-14-30;1-5-29-20-31(33(57)13-9-16-49-45(62)30-14-15-37(50-22-30)66-25-32-23-54(53-52-32)17-10-18-65-4)21-34(43(29)71-48-42(61)41(60)39(58)26(2)67-48)69-47-38(51-27(3)56)44(40(59)36(24-55)70-47)68-35(46(63)64)19-28-11-7-6-8-12-28;1-5-28-21-30(31(52)14-11-17-47-43(57)29-15-16-35(48-23-29)61-19-10-9-18-60-4)22-32(41(28)66-46-40(56)39(55)37(53)25(2)62-46)64-45-36(49-26(3)51)42(38(54)34(24-50)65-45)63-33(44(58)59)20-27-12-7-6-8-13-27;/h15-16,25-26,29,31-32,34,37-39,41-47,50-51,59,62-65H,5-14,17-24,27-28H2,1-4H3,(H,52,66)(H,54,60);16-17,26,28,30-31,33,35-37,39-45,48-49,54,57-60H,5-15,18-25,27H2,1-4H3,(H,50,61)(H,52,55);14-15,22-23,26,28-29,31,34-36,38-44,47-48,55,58-61H,5-13,16-21,24-25H2,1-4H3,(H,49,62)(H,51,56)(H,63,64);15-16,23,25,27-28,30,32-34,36-42,45-46,50,53-56H,5-14,17-22,24H2,1-4H3,(H,47,57)(H,49,51)(H,58,59);1H4/t29?,32?,34?,37-,38+,39+,41?,42-,43+,44+,45?,46-,47?,50-,51+;28?,31?,33?,35-,36+,37+,39?,40-,41+,42+,43?,44-,45?,48-,49+;26?,29?,31?,34-,35+,36+,38?,39-,40+,41+,42?,43-,44?,47-,48+;25?,28?,30?,32-,33+,34+,36?,37-,38+,39+,40?,41-,42?,45-,46+;/m1111./s1
• InChIKey: NIOIMXAGCRIVPT-CGICKURLSA-N
• XLogP: 5.30
• TPSA: 1192.32 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 74
• Rotatable Bonds: 98
• Heavy Atoms: 281
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3988.68
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	74

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-(4-methoxybutoxy)pyridine-3-carboxamide;N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carboxamide;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-(4-methoxybutoxy)pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;methane?

The IUPAC name of N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-(4-methoxybutoxy)pyridine-3-carboxamide;N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carboxamide;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-(4-methoxybutoxy)pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;methane (CID 165035685) is N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-(4-methoxybutoxy)pyridine-3-carboxamide;N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carboxamide;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-(4-methoxybutoxy)pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;methane.

What is the SMILES notation for N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-(4-methoxybutoxy)pyridine-3-carboxamide;N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carboxamide;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-(4-methoxybutoxy)pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;methane?

The canonical SMILES for N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-(4-methoxybutoxy)pyridine-3-carboxamide;N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carboxamide;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-(4-methoxybutoxy)pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;methane is C.CCC1CC(C(=O)CCCNC(=O)c2ccc(OCCCCOC)nc2)C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)N3CCC3)C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O.CCC1CC(C(=O)CCCNC(=O)c2ccc(OCCCCOC)nc2)C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O.CCC1CC(C(=O)CCCNC(=O)c2ccc(OCc3cn(CCCOC)nn3)nc2)C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)N3CCC3)C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O.CCC1CC(C(=O)CCCNC(=O)c2ccc(OCc3cn(CCCOC)nn3)nc2)C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O.

What is the InChIKey of N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-(4-methoxybutoxy)pyridine-3-carboxamide;N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carboxamide;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-(4-methoxybutoxy)pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;methane?

The InChIKey is NIOIMXAGCRIVPT-CGICKURLSA-N. The full InChI is InChI=1S/C51H79N7O16.C49H78N4O16.C48H74N6O17.C46H73N3O17.CH4/c1-5-32-23-34(36(61)14-9-17-52-48(66)33-15-16-40(53-25-33)69-28-35-26-58(56-55-35)20-11-21-68-4)24-37(46(32)74-51-45(65)44(64)42(62)29(2)70-51)72-50-41(54-30(3)60)47(43(63)39(27-59)73-50)71-38(49(67)57-18-10-19-57)22-31-12-7-6-8-13-31;1-5-31-24-33(34(56)15-11-18-50-46(61)32-16-17-38(51-26-32)64-22-10-9-21-63-4)25-35(44(31)69-49-43(60)42(59)40(57)28(2)65-49)67-48-39(52-29(3)55)45(41(58)37(27-54)68-48)66-36(47(62)53-19-12-20-53)23-30-13-7-6-8-14-30;1-5-29-20-31(33(57)13-9-16-49-45(62)30-14-15-37(50-22-30)66-25-32-23-54(53-52-32)17-10-18-65-4)21-34(43(29)71-48-42(61)41(60)39(58)26(2)67-48)69-47-38(51-27(3)56)44(40(59)36(24-55)70-47)68-35(46(63)64)19-28-11-7-6-8-12-28;1-5-28-21-30(31(52)14-11-17-47-43(57)29-15-16-35(48-23-29)61-19-10-9-18-60-4)22-32(41(28)66-46-40(56)39(55)37(53)25(2)62-46)64-45-36(49-26(3)51)42(38(54)34(24-50)65-45)63-33(44(58)59)20-27-12-7-6-8-13-27;/h15-16,25-26,29,31-32,34,37-39,41-47,50-51,59,62-65H,5-14,17-24,27-28H2,1-4H3,(H,52,66)(H,54,60);16-17,26,28,30-31,33,35-37,39-45,48-49,54,57-60H,5-15,18-25,27H2,1-4H3,(H,50,61)(H,52,55);14-15,22-23,26,28-29,31,34-36,38-44,47-48,55,58-61H,5-13,16-21,24-25H2,1-4H3,(H,49,62)(H,51,56)(H,63,64);15-16,23,25,27-28,30,32-34,36-42,45-46,50,53-56H,5-14,17-22,24H2,1-4H3,(H,47,57)(H,49,51)(H,58,59);1H4/t29?,32?,34?,37-,38+,39+,41?,42-,43+,44+,45?,46-,47?,50-,51+;28?,31?,33?,35-,36+,37+,39?,40-,41+,42+,43?,44-,45?,48-,49+;26?,29?,31?,34-,35+,36+,38?,39-,40+,41+,42?,43-,44?,47-,48+;25?,28?,30?,32-,33+,34+,36?,37-,38+,39+,40?,41-,42?,45-,46+;/m1111./s1.

What are the key properties of N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-(4-methoxybutoxy)pyridine-3-carboxamide;N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carboxamide;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-(4-methoxybutoxy)pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;methane?

N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-(4-methoxybutoxy)pyridine-3-carboxamide;N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carboxamide;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-(4-methoxybutoxy)pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;methane has a molecular weight of 3988.68 g/mol, XLogP of 5.30, 98 rotatable bonds, 30 hydrogen bond donors, and 74 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-(4-methoxybutoxy)pyridine-3-carboxamide;N-[4-[(3R,4R)-3-[(2R,5R,6S)-3-acetamido-4-[(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-ethyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-4-oxobutyl]-6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carboxamide;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-(4-methoxybutoxy)pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;(2S)-2-[(2R,5R,6S)-3-acetamido-2-[(1R,2R)-3-ethyl-5-[4-[[6-[[1-(3-methoxypropyl)triazol-4-yl]methoxy]pyridine-3-carbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;methane is sourced from PubChem (CID 165035685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).