N-[(1S,2R,3R,5R)-3-[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[2-[2-[2-[2-[[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,4R,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C152H208F4N26O51 — CID 167404887

About N-[(1S,2R,3R,5R)-3-[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[2-[2-[2-[2-[[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,4R,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[(1S,2R,3R,5R)-3-[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[2-[2-[2-[2-[[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,4R,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 167404887) has the molecular formula C152H208F4N26O51 and a molecular weight of 3291.46 g/mol. Its IUPAC name is N-[(1S,2R,3R,5R)-3-[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[2-[2-[2-[2-[[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,4R,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R,3R,5R)-3-[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[2-[2-[2-[2-[[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,4R,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
• PubChem CID: 167404887
• Molecular Formula: C152H208F4N26O51
• Molecular Weight: 3291.46 g/mol
• Exact Mass: 3289.44
• IUPAC Name: N-[(1S,2R,3R,5R)-3-[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[2-[2-[2-[2-[[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,4R,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
• SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(=O)c3cc(=O)[nH]c(=O)[nH]3)C[C@@H](C(=O)NCCOCCNC(=O)[C@H]3C[C@@H](O[C@H]4C[C@@H](n5cc(-c6cccc(F)c6)nn5)[C@@H](O)[C@@H](CO)O4)[C@H](O)[C@@H](n4cc(-c5cccc(F)c5)nn4)C3)C[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)N3CCCCC3)[C@H]2NC(=O)COCCOCCOCCOCC(=O)N[C@H]2[C@H](O[C@@H]3C[C@H](C(=O)NCCOCCNC(=O)[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](n6cc(-c7cccc(F)c7)nn6)[C@H]5O)[C@H](O)[C@@H](n5cc(-c6cccc(F)c6)nn5)C4)C[C@H](NC(=O)c4cc(=O)[nH]c(=O)[nH]4)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H](CC2CCCCC2)C(=O)N2CCCCC2)[C@@H](O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C152H208F4N26O51/c1-76-121(191)130(200)132(202)149(220-76)232-134-92(161-142(208)94-63-113(187)167-151(212)163-94)55-84(138(204)157-31-39-214-41-33-159-140(206)86-57-100(179-66-96(169-173-179)80-23-15-27-88(153)51-80)123(193)103(59-86)222-117-65-102(125(195)109(70-183)223-117)181-68-98(171-175-181)82-25-17-29-90(155)53-82)61-105(134)227-146-118(136(127(197)111(72-185)229-146)224-107(49-78-19-7-3-8-20-78)144(210)177-35-11-5-12-36-177)165-115(189)74-218-47-45-216-43-44-217-46-48-219-75-116(190)166-119-137(225-108(50-79-21-9-4-10-22-79)145(211)178-37-13-6-14-38-178)128(198)112(73-186)230-147(119)228-106-62-85(56-93(162-143(209)95-64-114(188)168-152(213)164-95)135(106)233-150-133(203)131(201)122(192)77(2)221-150)139(205)158-32-40-215-42-34-160-141(207)87-58-101(180-67-97(170-174-180)81-24-16-28-89(154)52-81)124(194)104(60-87)226-148-129(199)120(126(196)110(71-184)231-148)182-69-99(172-176-182)83-26-18-30-91(156)54-83/h15-18,23-30,51-54,63-64,66-69,76-79,84-87,92-93,100-112,117-137,146-150,183-186,191-203H,3-14,19-22,31-50,55-62,65,70-75H2,1-2H3,(H,157,204)(H,158,205)(H,159,206)(H,160,207)(H,161,208)(H,162,209)(H,165,189)(H,166,190)(H2,163,167,187,212)(H2,164,168,188,213)/t76-,77-,84+,85+,86+,87+,92-,93-,100-,101-,102+,103+,104+,105+,106+,107-,108-,109+,110+,111+,112+,117+,118+,119+,120-,121+,122+,123+,124+,125+,126-,127-,128-,129+,130+,131+,132-,133-,134+,135+,136+,137+,146+,147+,148+,149-,150-/m0/s1
• InChIKey: POBPQWPBCKMHAV-PSDOCEJFSA-N
• XLogP: -4.71
• TPSA: 1056.21 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 63
• Rotatable Bonds: 69
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3291.46
LogP ≤ 5	-4.71
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R,5R)-3-[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[2-[2-[2-[2-[[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,4R,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?

The IUPAC name of N-[(1S,2R,3R,5R)-3-[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[2-[2-[2-[2-[[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,4R,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 167404887) is N-[(1S,2R,3R,5R)-3-[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[2-[2-[2-[2-[[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,4R,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

What is the SMILES notation for N-[(1S,2R,3R,5R)-3-[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[2-[2-[2-[2-[[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,4R,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?

The canonical SMILES for N-[(1S,2R,3R,5R)-3-[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[2-[2-[2-[2-[[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,4R,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(=O)c3cc(=O)[nH]c(=O)[nH]3)C[C@@H](C(=O)NCCOCCNC(=O)[C@H]3C[C@@H](O[C@H]4C[C@@H](n5cc(-c6cccc(F)c6)nn5)[C@@H](O)[C@@H](CO)O4)[C@H](O)[C@@H](n4cc(-c5cccc(F)c5)nn4)C3)C[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)N3CCCCC3)[C@H]2NC(=O)COCCOCCOCCOCC(=O)N[C@H]2[C@H](O[C@@H]3C[C@H](C(=O)NCCOCCNC(=O)[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](n6cc(-c7cccc(F)c7)nn6)[C@H]5O)[C@H](O)[C@@H](n5cc(-c6cccc(F)c6)nn5)C4)C[C@H](NC(=O)c4cc(=O)[nH]c(=O)[nH]4)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H](CC2CCCCC2)C(=O)N2CCCCC2)[C@@H](O)[C@H](O)[C@@H]1O.

What is the InChIKey of N-[(1S,2R,3R,5R)-3-[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[2-[2-[2-[2-[[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,4R,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?

The InChIKey is POBPQWPBCKMHAV-PSDOCEJFSA-N. The full InChI is InChI=1S/C152H208F4N26O51/c1-76-121(191)130(200)132(202)149(220-76)232-134-92(161-142(208)94-63-113(187)167-151(212)163-94)55-84(138(204)157-31-39-214-41-33-159-140(206)86-57-100(179-66-96(169-173-179)80-23-15-27-88(153)51-80)123(193)103(59-86)222-117-65-102(125(195)109(70-183)223-117)181-68-98(171-175-181)82-25-17-29-90(155)53-82)61-105(134)227-146-118(136(127(197)111(72-185)229-146)224-107(49-78-19-7-3-8-20-78)144(210)177-35-11-5-12-36-177)165-115(189)74-218-47-45-216-43-44-217-46-48-219-75-116(190)166-119-137(225-108(50-79-21-9-4-10-22-79)145(211)178-37-13-6-14-38-178)128(198)112(73-186)230-147(119)228-106-62-85(56-93(162-143(209)95-64-114(188)168-152(213)164-95)135(106)233-150-133(203)131(201)122(192)77(2)221-150)139(205)158-32-40-215-42-34-160-141(207)87-58-101(180-67-97(170-174-180)81-24-16-28-89(154)52-81)124(194)104(60-87)226-148-129(199)120(126(196)110(71-184)231-148)182-69-99(172-176-182)83-26-18-30-91(156)54-83/h15-18,23-30,51-54,63-64,66-69,76-79,84-87,92-93,100-112,117-137,146-150,183-186,191-203H,3-14,19-22,31-50,55-62,65,70-75H2,1-2H3,(H,157,204)(H,158,205)(H,159,206)(H,160,207)(H,161,208)(H,162,209)(H,165,189)(H,166,190)(H2,163,167,187,212)(H2,164,168,188,213)/t76-,77-,84+,85+,86+,87+,92-,93-,100-,101-,102+,103+,104+,105+,106+,107-,108-,109+,110+,111+,112+,117+,118+,119+,120-,121+,122+,123+,124+,125+,126-,127-,128-,129+,130+,131+,132-,133-,134+,135+,136+,137+,146+,147+,148+,149-,150-/m0/s1.

What are the key properties of N-[(1S,2R,3R,5R)-3-[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[2-[2-[2-[2-[[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,4R,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?

N-[(1S,2R,3R,5R)-3-[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[2-[2-[2-[2-[[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,4R,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 3291.46 g/mol, XLogP of -4.71, 69 rotatable bonds, 29 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R,3R,5R)-3-[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[2-[2-[2-[2-[[(2R,3R,4R,5R,6R)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,4S,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[2-[[(1R,3S,4R,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,4R,5R,6R)-4-[4-(3-fluorophenyl)triazol-1-yl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]ethoxy]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 167404887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).