cis-(1S,5R)-N-[4-[(3R,4R)-3-[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetyl]amino]-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]-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexane-1-carboxamide

C152H214F4N24O45 — CID 167577672

About cis-(1S,5R)-N-[4-[(3R,4R)-3-[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetyl]amino]-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]-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexane-1-carboxamide

cis-(1S,5R)-N-[4-[(3R,4R)-3-[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetyl]amino]-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]-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexane-1-carboxamide (PubChem CID 167577672) has the molecular formula C152H214F4N24O45 and a molecular weight of 3173.50 g/mol. Its IUPAC name is cis-(1S,5R)-N-[4-[(3R,4R)-3-[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetyl]amino]-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]-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,5R)-N-[4-[(3R,4R)-3-[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetyl]amino]-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]-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexane-1-carboxamide
• PubChem CID: 167577672
• Molecular Formula: C152H214F4N24O45
• Molecular Weight: 3173.50 g/mol
• Exact Mass: 3171.51
• IUPAC Name: cis-(1S,5R)-N-[4-[(3R,4R)-3-[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetyl]amino]-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]-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexane-1-carboxamide
• SMILES: CCC1CC(C(=O)CCCNC(=O)[C@H]2CC(n3cc(-c4cccc(F)c4)nn3)C(O)[C@H](OC3OC(CO)C(O)C(n4cc(-c5cccc(F)c5)nn4)C3O)C2)C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)N3CCCCC3)C2NC(=O)Cn2cc(COCCOCCOCCOCCOCc3cn(CC(=O)NC4C(O[C@@H](CC5CCCCC5)C(=O)N5CCCCC5)[C@@H](O)[C@H](CO)O[C@H]4O[C@@H]4CC(C(=O)CCCNC(=O)[C@H]5CC(n6cc(-c7cccc(F)c7)nn6)C(O)[C@H](O[C@@H]6OC(CO)[C@H](O)C(n7cc(-c8cccc(F)c8)nn7)[C@H]6O)C5)CC(CC)[C@H]4O[C@@H]4OC(C)[C@@H](O)[C@H](O)C4O)nn3)nn2)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O
• InChI: InChI=1S/C152H214F4N24O45/c1-5-85-55-91(107(185)37-23-39-157-143(203)93-61-105(177-69-101(163-169-177)87-29-19-33-95(153)57-87)127(191)109(65-93)216-149-133(197)123(129(193)115(75-181)222-149)179-71-103(165-171-179)89-31-21-35-97(155)59-89)63-111(139(85)224-151-137(201)135(199)125(189)81(3)212-151)218-147-121(141(131(195)117(77-183)220-147)214-113(53-83-25-11-7-12-26-83)145(205)173-41-15-9-16-42-173)159-119(187)73-175-67-99(161-167-175)79-210-51-49-208-47-45-207-46-48-209-50-52-211-80-100-68-176(168-162-100)74-120(188)160-122-142(215-114(54-84-27-13-8-14-28-84)146(206)174-43-17-10-18-44-174)132(196)118(78-184)221-148(122)219-112-64-92(56-86(6-2)140(112)225-152-138(202)136(200)126(190)82(4)213-152)108(186)38-24-40-158-144(204)94-62-106(178-70-102(164-170-178)88-30-20-34-96(154)58-88)128(192)110(66-94)217-150-134(198)124(130(194)116(76-182)223-150)180-72-104(166-172-180)90-32-22-36-98(156)60-90/h19-22,29-36,57-60,67-72,81-86,91-94,105-106,109-118,121-142,147-152,181-184,189-202H,5-18,23-28,37-56,61-66,73-80H2,1-4H3,(H,157,203)(H,158,204)(H,159,187)(H,160,188)/t81?,82?,85?,86?,91?,92?,93-,94-,105?,106?,109+,110+,111+,112+,113-,114-,115?,116?,117-,118-,121?,122?,123?,124?,125+,126+,127?,128?,129-,130?,131-,132-,133+,134?,135-,136-,137?,138?,139+,140+,141?,142?,147+,148+,149+,150?,151-,152-/m0/s1
• InChIKey: GTIFKUSRNALLGL-YTUWZKOLSA-N
• XLogP: 2.00
• TPSA: 914.93 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 63
• Rotatable Bonds: 70
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3173.50
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	63

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cis-(1S,5R)-N-[4-[(3R,4R)-3-[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetyl]amino]-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]-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexane-1-carboxamide?

The IUPAC name of cis-(1S,5R)-N-[4-[(3R,4R)-3-[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetyl]amino]-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]-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexane-1-carboxamide (CID 167577672) is cis-(1S,5R)-N-[4-[(3R,4R)-3-[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetyl]amino]-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]-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexane-1-carboxamide.

What is the SMILES notation for cis-(1S,5R)-N-[4-[(3R,4R)-3-[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetyl]amino]-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]-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexane-1-carboxamide?

The canonical SMILES for cis-(1S,5R)-N-[4-[(3R,4R)-3-[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetyl]amino]-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]-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexane-1-carboxamide is CCC1CC(C(=O)CCCNC(=O)[C@H]2CC(n3cc(-c4cccc(F)c4)nn3)C(O)[C@H](OC3OC(CO)C(O)C(n4cc(-c5cccc(F)c5)nn4)C3O)C2)C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)N3CCCCC3)C2NC(=O)Cn2cc(COCCOCCOCCOCCOCc3cn(CC(=O)NC4C(O[C@@H](CC5CCCCC5)C(=O)N5CCCCC5)[C@@H](O)[C@H](CO)O[C@H]4O[C@@H]4CC(C(=O)CCCNC(=O)[C@H]5CC(n6cc(-c7cccc(F)c7)nn6)C(O)[C@H](O[C@@H]6OC(CO)[C@H](O)C(n7cc(-c8cccc(F)c8)nn7)[C@H]6O)C5)CC(CC)[C@H]4O[C@@H]4OC(C)[C@@H](O)[C@H](O)C4O)nn3)nn2)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O.

What is the InChIKey of cis-(1S,5R)-N-[4-[(3R,4R)-3-[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetyl]amino]-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]-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexane-1-carboxamide?

The InChIKey is GTIFKUSRNALLGL-YTUWZKOLSA-N. The full InChI is InChI=1S/C152H214F4N24O45/c1-5-85-55-91(107(185)37-23-39-157-143(203)93-61-105(177-69-101(163-169-177)87-29-19-33-95(153)57-87)127(191)109(65-93)216-149-133(197)123(129(193)115(75-181)222-149)179-71-103(165-171-179)89-31-21-35-97(155)59-89)63-111(139(85)224-151-137(201)135(199)125(189)81(3)212-151)218-147-121(141(131(195)117(77-183)220-147)214-113(53-83-25-11-7-12-26-83)145(205)173-41-15-9-16-42-173)159-119(187)73-175-67-99(161-167-175)79-210-51-49-208-47-45-207-46-48-209-50-52-211-80-100-68-176(168-162-100)74-120(188)160-122-142(215-114(54-84-27-13-8-14-28-84)146(206)174-43-17-10-18-44-174)132(196)118(78-184)221-148(122)219-112-64-92(56-86(6-2)140(112)225-152-138(202)136(200)126(190)82(4)213-152)108(186)38-24-40-158-144(204)94-62-106(178-70-102(164-170-178)88-30-20-34-96(154)58-88)128(192)110(66-94)217-150-134(198)124(130(194)116(76-182)223-150)180-72-104(166-172-180)90-32-22-36-98(156)60-90/h19-22,29-36,57-60,67-72,81-86,91-94,105-106,109-118,121-142,147-152,181-184,189-202H,5-18,23-28,37-56,61-66,73-80H2,1-4H3,(H,157,203)(H,158,204)(H,159,187)(H,160,188)/t81?,82?,85?,86?,91?,92?,93-,94-,105?,106?,109+,110+,111+,112+,113-,114-,115?,116?,117-,118-,121?,122?,123?,124?,125+,126+,127?,128?,129-,130?,131-,132-,133+,134?,135-,136-,137?,138?,139+,140+,141?,142?,147+,148+,149+,150?,151-,152-/m0/s1.

What are the key properties of cis-(1S,5R)-N-[4-[(3R,4R)-3-[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetyl]amino]-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]-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexane-1-carboxamide?

cis-(1S,5R)-N-[4-[(3R,4R)-3-[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetyl]amino]-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]-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 3173.50 g/mol, XLogP of 2.00, 70 rotatable bonds, 22 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,5R)-N-[4-[(3R,4R)-3-[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R,6S)-4-[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl]oxy-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[(2R,3R,5R)-4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexanecarbonyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetyl]amino]-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]-3-[4-(3-fluorophenyl)triazol-1-yl]-5-[4-[4-(3-fluorophenyl)triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 167577672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).