(2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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-4-yl]oxy-3-cyclohexylpropanoic acid

C145H191F4N23O54 — CID 167581557

About (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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-4-yl]oxy-3-cyclohexylpropanoic acid

(2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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-4-yl]oxy-3-cyclohexylpropanoic acid (PubChem CID 167581557) has the molecular formula C145H191F4N23O54 and a molecular weight of 3196.22 g/mol. Its IUPAC name is (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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-4-yl]oxy-3-cyclohexylpropanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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-4-yl]oxy-3-cyclohexylpropanoic acid
• PubChem CID: 167581557
• Molecular Formula: C145H191F4N23O54
• Molecular Weight: 3196.22 g/mol
• Exact Mass: 3194.28
• IUPAC Name: (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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-4-yl]oxy-3-cyclohexylpropanoic acid
• SMILES: CC1O[C@@H](O[C@@H]2C(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)CC(C(=O)CCCNC(=O)[C@H]3CC(n4cc(-c5cccc(F)c5)nn4)C(O)[C@H](O[C@@H]4OC(CO)[C@H](O)C(n5cc(-c6cccc(F)c6)nn5)[C@H]4O)C3)C[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(=O)CCC(=O)COCCOCCOCCOCC(=O)NCC(=O)NC2C(O[C@@H](CC3CCCCC3)C(=O)O)[C@@H](O)[C@H](CO)O[C@H]2O[C@@H]2CC(C(=O)CCCNC(=O)[C@H]3CC(n4cc(-c5cccc(F)c5)nn4)C(O)[C@H](O[C@@H]4OC(CO)[C@H](O)C(n5cc(-c6cccc(F)c6)nn5)[C@H]4O)C3)CC(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)[C@H]2O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)C(O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C145H191F4N23O54/c1-66-114(185)124(195)126(197)142(213-66)225-128-83(153-134(201)85-53-106(181)159-144(207)155-85)45-74(93(178)27-13-31-150-132(199)76-47-91(169-56-87(161-165-169)70-19-9-23-78(146)41-70)116(187)95(51-76)217-140-122(193)112(118(189)101(60-173)223-140)171-58-89(163-167-171)72-21-11-25-80(148)43-72)49-97(128)219-138-110(130(120(191)103(62-175)221-138)215-99(136(203)204)39-68-15-5-3-6-16-68)157-105(180)30-29-82(177)64-211-37-35-209-33-34-210-36-38-212-65-109(184)152-55-108(183)158-111-131(216-100(137(205)206)40-69-17-7-4-8-18-69)121(192)104(63-176)222-139(111)220-98-50-75(46-84(154-135(202)86-54-107(182)160-145(208)156-86)129(98)226-143-127(198)125(196)115(186)67(2)214-143)94(179)28-14-32-151-133(200)77-48-92(170-57-88(162-166-170)71-20-10-24-79(147)42-71)117(188)96(52-77)218-141-123(194)113(119(190)102(61-174)224-141)172-59-90(164-168-172)73-22-12-26-81(149)44-73/h9-12,19-26,41-44,53-54,56-59,66-69,74-77,83-84,91-92,95-104,110-131,138-143,173-176,185-198H,3-8,13-18,27-40,45-52,55,60-65H2,1-2H3,(H,150,199)(H,151,200)(H,152,184)(H,153,201)(H,154,202)(H,157,180)(H,158,183)(H,203,204)(H,205,206)(H2,155,159,181,207)(H2,156,160,182,208)/t66?,67?,74?,75?,76-,77-,83?,84?,91?,92?,95+,96+,97+,98+,99-,100-,101?,102?,103-,104-,110?,111?,112?,113?,114+,115+,116?,117?,118-,119-,120-,121-,122+,123+,124-,125-,126?,127?,128+,129+,130?,131?,138+,139+,140+,141+,142-,143-/m0/s1
• InChIKey: HFXXKAHPPXGDHZ-KFTYIIGXSA-N
• XLogP: -5.70
• TPSA: 1114.07 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 64
• Rotatable Bonds: 70
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3196.22
LogP ≤ 5	-5.70
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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-4-yl]oxy-3-cyclohexylpropanoic acid?

The IUPAC name of (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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-4-yl]oxy-3-cyclohexylpropanoic acid (CID 167581557) is (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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-4-yl]oxy-3-cyclohexylpropanoic acid.

What is the SMILES notation for (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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-4-yl]oxy-3-cyclohexylpropanoic acid?

The canonical SMILES for (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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-4-yl]oxy-3-cyclohexylpropanoic acid is CC1O[C@@H](O[C@@H]2C(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)CC(C(=O)CCCNC(=O)[C@H]3CC(n4cc(-c5cccc(F)c5)nn4)C(O)[C@H](O[C@@H]4OC(CO)[C@H](O)C(n5cc(-c6cccc(F)c6)nn5)[C@H]4O)C3)C[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(=O)CCC(=O)COCCOCCOCCOCC(=O)NCC(=O)NC2C(O[C@@H](CC3CCCCC3)C(=O)O)[C@@H](O)[C@H](CO)O[C@H]2O[C@@H]2CC(C(=O)CCCNC(=O)[C@H]3CC(n4cc(-c5cccc(F)c5)nn4)C(O)[C@H](O[C@@H]4OC(CO)[C@H](O)C(n5cc(-c6cccc(F)c6)nn5)[C@H]4O)C3)CC(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)[C@H]2O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)C(O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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-4-yl]oxy-3-cyclohexylpropanoic acid?

The InChIKey is HFXXKAHPPXGDHZ-KFTYIIGXSA-N. The full InChI is InChI=1S/C145H191F4N23O54/c1-66-114(185)124(195)126(197)142(213-66)225-128-83(153-134(201)85-53-106(181)159-144(207)155-85)45-74(93(178)27-13-31-150-132(199)76-47-91(169-56-87(161-165-169)70-19-9-23-78(146)41-70)116(187)95(51-76)217-140-122(193)112(118(189)101(60-173)223-140)171-58-89(163-167-171)72-21-11-25-80(148)43-72)49-97(128)219-138-110(130(120(191)103(62-175)221-138)215-99(136(203)204)39-68-15-5-3-6-16-68)157-105(180)30-29-82(177)64-211-37-35-209-33-34-210-36-38-212-65-109(184)152-55-108(183)158-111-131(216-100(137(205)206)40-69-17-7-4-8-18-69)121(192)104(63-176)222-139(111)220-98-50-75(46-84(154-135(202)86-54-107(182)160-145(208)156-86)129(98)226-143-127(198)125(196)115(186)67(2)214-143)94(179)28-14-32-151-133(200)77-48-92(170-57-88(162-166-170)71-20-10-24-79(147)42-71)117(188)96(52-77)218-141-123(194)113(119(190)102(61-174)224-141)172-59-90(164-168-172)73-22-12-26-81(149)44-73/h9-12,19-26,41-44,53-54,56-59,66-69,74-77,83-84,91-92,95-104,110-131,138-143,173-176,185-198H,3-8,13-18,27-40,45-52,55,60-65H2,1-2H3,(H,150,199)(H,151,200)(H,152,184)(H,153,201)(H,154,202)(H,157,180)(H,158,183)(H,203,204)(H,205,206)(H2,155,159,181,207)(H2,156,160,182,208)/t66?,67?,74?,75?,76-,77-,83?,84?,91?,92?,95+,96+,97+,98+,99-,100-,101?,102?,103-,104-,110?,111?,112?,113?,114+,115+,116?,117?,118-,119-,120-,121-,122+,123+,124-,125-,126?,127?,128+,129+,130?,131?,138+,139+,140+,141+,142-,143-/m0/s1.

What are the key properties of (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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-4-yl]oxy-3-cyclohexylpropanoic acid?

(2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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-4-yl]oxy-3-cyclohexylpropanoic acid has a molecular weight of 3196.22 g/mol, XLogP of -5.70, 70 rotatable bonds, 31 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-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-4-yl]oxy-3-cyclohexylpropanoic acid is sourced from PubChem (CID 167581557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).