(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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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

C149H199F4N23O56 — CID 167707440

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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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 167707440) has the molecular formula C149H199F4N23O56 and a molecular weight of 3284.33 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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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: 167707440
• Molecular Formula: C149H199F4N23O56
• Molecular Weight: 3284.33 g/mol
• Exact Mass: 3282.34
• 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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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)CCCOCCNC(=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)CCCOCCNC(=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/C149H199F4N23O56/c1-70-118(189)128(199)130(201)146(219-70)231-132-87(157-138(205)89-57-110(185)163-148(211)159-89)49-78(97(182)27-13-33-213-35-31-154-136(203)80-51-95(173-60-91(165-169-173)74-19-9-23-82(150)45-74)120(191)99(55-80)223-144-126(197)116(122(193)105(64-177)229-144)175-62-93(167-171-175)76-21-11-25-84(152)47-76)53-101(132)225-142-114(134(124(195)107(66-179)227-142)221-103(140(207)208)43-72-15-5-3-6-16-72)161-109(184)30-29-86(181)68-217-41-39-215-37-38-216-40-42-218-69-113(188)156-59-112(187)162-115-135(222-104(141(209)210)44-73-17-7-4-8-18-73)125(196)108(67-180)228-143(115)226-102-54-79(50-88(158-139(206)90-58-111(186)164-149(212)160-90)133(102)232-147-131(202)129(200)119(190)71(2)220-147)98(183)28-14-34-214-36-32-155-137(204)81-52-96(174-61-92(166-170-174)75-20-10-24-83(151)46-75)121(192)100(56-81)224-145-127(198)117(123(194)106(65-178)230-145)176-63-94(168-172-176)77-22-12-26-85(153)48-77/h9-12,19-26,45-48,57-58,60-63,70-73,78-81,87-88,95-96,99-108,114-135,142-147,177-180,189-202H,3-8,13-18,27-44,49-56,59,64-69H2,1-2H3,(H,154,203)(H,155,204)(H,156,188)(H,157,205)(H,158,206)(H,161,184)(H,162,187)(H,207,208)(H,209,210)(H2,159,163,185,211)(H2,160,164,186,212)/t70?,71?,78?,79?,80-,81-,87?,88?,95?,96?,99+,100+,101+,102+,103-,104-,105?,106?,107-,108-,114?,115?,116?,117?,118+,119+,120?,121?,122-,123-,124-,125-,126+,127+,128-,129-,130?,131?,132+,133+,134?,135?,142+,143+,144+,145+,146-,147-/m0/s1
• InChIKey: ZHSPQXZPCOOMRI-CCPWNEOZSA-N
• XLogP: -5.66
• TPSA: 1132.53 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 66
• Rotatable Bonds: 76
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3284.33
LogP ≤ 5	-5.66
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	66

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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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 167707440) 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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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)CCCOCCNC(=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)CCCOCCNC(=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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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 ZHSPQXZPCOOMRI-CCPWNEOZSA-N. The full InChI is InChI=1S/C149H199F4N23O56/c1-70-118(189)128(199)130(201)146(219-70)231-132-87(157-138(205)89-57-110(185)163-148(211)159-89)49-78(97(182)27-13-33-213-35-31-154-136(203)80-51-95(173-60-91(165-169-173)74-19-9-23-82(150)45-74)120(191)99(55-80)223-144-126(197)116(122(193)105(64-177)229-144)175-62-93(167-171-175)76-21-11-25-84(152)47-76)53-101(132)225-142-114(134(124(195)107(66-179)227-142)221-103(140(207)208)43-72-15-5-3-6-16-72)161-109(184)30-29-86(181)68-217-41-39-215-37-38-216-40-42-218-69-113(188)156-59-112(187)162-115-135(222-104(141(209)210)44-73-17-7-4-8-18-73)125(196)108(67-180)228-143(115)226-102-54-79(50-88(158-139(206)90-58-111(186)164-149(212)160-90)133(102)232-147-131(202)129(200)119(190)71(2)220-147)98(183)28-14-34-214-36-32-155-137(204)81-52-96(174-61-92(166-170-174)75-20-10-24-83(151)46-75)121(192)100(56-81)224-145-127(198)117(123(194)106(65-178)230-145)176-63-94(168-172-176)77-22-12-26-85(153)48-77/h9-12,19-26,45-48,57-58,60-63,70-73,78-81,87-88,95-96,99-108,114-135,142-147,177-180,189-202H,3-8,13-18,27-44,49-56,59,64-69H2,1-2H3,(H,154,203)(H,155,204)(H,156,188)(H,157,205)(H,158,206)(H,161,184)(H,162,187)(H,207,208)(H,209,210)(H2,159,163,185,211)(H2,160,164,186,212)/t70?,71?,78?,79?,80-,81-,87?,88?,95?,96?,99+,100+,101+,102+,103-,104-,105?,106?,107-,108-,114?,115?,116?,117?,118+,119+,120?,121?,122-,123-,124-,125-,126+,127+,128-,129-,130?,131?,132+,133+,134?,135?,142+,143+,144+,145+,146-,147-/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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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 3284.33 g/mol, XLogP of -5.66, 76 rotatable bonds, 31 hydrogen bond donors, and 66 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-[2-[[(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]ethoxy]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-[2-[[(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]ethoxy]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 167707440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).