(2S)-2-[(2R,5R,6S)-3-[[2-[1-[3-[2-[2-[2-[2-[3-[3-[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-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]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetyl]amino]-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,3R)-3-[(2R,3R,5R)-4-[5-(3-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[4-(3-fluorophenyl)triazol-1-yl]-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

C150H208F4N20O51S2 — CID 167707453

About (2S)-2-[(2R,5R,6S)-3-[[2-[1-[3-[2-[2-[2-[2-[3-[3-[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-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]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetyl]amino]-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,3R)-3-[(2R,3R,5R)-4-[5-(3-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[4-(3-fluorophenyl)triazol-1-yl]-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-[[2-[1-[3-[2-[2-[2-[2-[3-[3-[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-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]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetyl]amino]-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,3R)-3-[(2R,3R,5R)-4-[5-(3-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[4-(3-fluorophenyl)triazol-1-yl]-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 167707453) has the molecular formula C150H208F4N20O51S2 and a molecular weight of 3247.53 g/mol. Its IUPAC name is (2S)-2-[(2R,5R,6S)-3-[[2-[1-[3-[2-[2-[2-[2-[3-[3-[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-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]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetyl]amino]-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,3R)-3-[(2R,3R,5R)-4-[5-(3-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[4-(3-fluorophenyl)triazol-1-yl]-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-[[2-[1-[3-[2-[2-[2-[2-[3-[3-[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-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]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetyl]amino]-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,3R)-3-[(2R,3R,5R)-4-[5-(3-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[4-(3-fluorophenyl)triazol-1-yl]-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: 167707453
• Molecular Formula: C150H208F4N20O51S2
• Molecular Weight: 3247.53 g/mol
• Exact Mass: 3245.37
• IUPAC Name: (2S)-2-[(2R,5R,6S)-3-[[2-[1-[3-[2-[2-[2-[2-[3-[3-[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-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]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetyl]amino]-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,3R)-3-[(2R,3R,5R)-4-[5-(3-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[4-(3-fluorophenyl)triazol-1-yl]-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: CCC1CC(C(=O)CCCNC(=O)[C@H]2CC(n3cc(-c4cccc(F)c4)nn3)C(O)[C@H](O[C@@H]3OC(CO)[C@H](O)C(N4C=C(c5cccc(F)c5)NN4)[C@H]3O)C2)C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(=O)CSC2CC(=O)N(CCC(=O)NCCOCCOCCOCCNC(=O)CCN3C(=O)CC(SCC(=O)NC4C(O[C@@H](CC5CCCCC5)C(=O)O)[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)C3=O)C2=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O
• InChI: InChI=1S/C150H208F4N20O51S2/c1-5-77-49-83(97(179)31-17-35-157-139(201)85-55-95(171-63-91(161-165-171)79-23-13-27-87(151)51-79)123(189)99(59-85)216-147-129(195)119(125(191)105(67-175)222-147)173-65-93(163-167-173)81-25-15-29-89(153)53-81)57-101(135(77)224-149-133(199)131(197)121(187)73(3)212-149)218-145-117(137(127(193)107(69-177)220-145)214-103(143(205)206)47-75-19-9-7-10-20-75)159-113(183)71-226-109-61-115(185)169(141(109)203)39-33-111(181)155-37-41-209-43-45-211-46-44-210-42-38-156-112(182)34-40-170-116(186)62-110(142(170)204)227-72-114(184)160-118-138(215-104(144(207)208)48-76-21-11-8-12-22-76)128(194)108(70-178)221-146(118)219-102-58-84(50-78(6-2)136(102)225-150-134(200)132(198)122(188)74(4)213-150)98(180)32-18-36-158-140(202)86-56-96(172-64-92(162-166-172)80-24-14-28-88(152)52-80)124(190)100(60-86)217-148-130(196)120(126(192)106(68-176)223-148)174-66-94(164-168-174)82-26-16-30-90(154)54-82/h13-16,23-30,51-54,63-66,73-78,83-86,95-96,99-110,117-138,145-150,163,167,175-178,187-200H,5-12,17-22,31-50,55-62,67-72H2,1-4H3,(H,155,181)(H,156,182)(H,157,201)(H,158,202)(H,159,183)(H,160,184)(H,205,206)(H,207,208)/t73?,74?,77?,78?,83?,84?,85-,86-,95?,96?,99+,100+,101+,102+,103-,104-,105?,106?,107-,108-,109?,110?,117?,118?,119?,120?,121+,122+,123?,124?,125-,126-,127-,128-,129+,130+,131-,132-,133?,134?,135+,136+,137?,138?,145+,146+,147+,148+,149-,150-/m0/s1
• InChIKey: ZHUCFYYTERJNIO-AVBPJTMTSA-N
• XLogP: -1.55
• TPSA: 998.58 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 63
• Rotatable Bonds: 74
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3247.53
LogP ≤ 5	-1.55
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,5R,6S)-3-[[2-[1-[3-[2-[2-[2-[2-[3-[3-[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-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]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetyl]amino]-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,3R)-3-[(2R,3R,5R)-4-[5-(3-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[4-(3-fluorophenyl)triazol-1-yl]-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-[[2-[1-[3-[2-[2-[2-[2-[3-[3-[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-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]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetyl]amino]-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,3R)-3-[(2R,3R,5R)-4-[5-(3-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[4-(3-fluorophenyl)triazol-1-yl]-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 167707453) is (2S)-2-[(2R,5R,6S)-3-[[2-[1-[3-[2-[2-[2-[2-[3-[3-[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-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]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetyl]amino]-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,3R)-3-[(2R,3R,5R)-4-[5-(3-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[4-(3-fluorophenyl)triazol-1-yl]-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-[[2-[1-[3-[2-[2-[2-[2-[3-[3-[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-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]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetyl]amino]-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,3R)-3-[(2R,3R,5R)-4-[5-(3-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[4-(3-fluorophenyl)triazol-1-yl]-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-[[2-[1-[3-[2-[2-[2-[2-[3-[3-[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-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]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetyl]amino]-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,3R)-3-[(2R,3R,5R)-4-[5-(3-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[4-(3-fluorophenyl)triazol-1-yl]-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 CCC1CC(C(=O)CCCNC(=O)[C@H]2CC(n3cc(-c4cccc(F)c4)nn3)C(O)[C@H](O[C@@H]3OC(CO)[C@H](O)C(N4C=C(c5cccc(F)c5)NN4)[C@H]3O)C2)C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(=O)CSC2CC(=O)N(CCC(=O)NCCOCCOCCOCCNC(=O)CCN3C(=O)CC(SCC(=O)NC4C(O[C@@H](CC5CCCCC5)C(=O)O)[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)C3=O)C2=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O.

What is the InChIKey of (2S)-2-[(2R,5R,6S)-3-[[2-[1-[3-[2-[2-[2-[2-[3-[3-[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-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]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetyl]amino]-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,3R)-3-[(2R,3R,5R)-4-[5-(3-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[4-(3-fluorophenyl)triazol-1-yl]-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 ZHUCFYYTERJNIO-AVBPJTMTSA-N. The full InChI is InChI=1S/C150H208F4N20O51S2/c1-5-77-49-83(97(179)31-17-35-157-139(201)85-55-95(171-63-91(161-165-171)79-23-13-27-87(151)51-79)123(189)99(59-85)216-147-129(195)119(125(191)105(67-175)222-147)173-65-93(163-167-173)81-25-15-29-89(153)53-81)57-101(135(77)224-149-133(199)131(197)121(187)73(3)212-149)218-145-117(137(127(193)107(69-177)220-145)214-103(143(205)206)47-75-19-9-7-10-20-75)159-113(183)71-226-109-61-115(185)169(141(109)203)39-33-111(181)155-37-41-209-43-45-211-46-44-210-42-38-156-112(182)34-40-170-116(186)62-110(142(170)204)227-72-114(184)160-118-138(215-104(144(207)208)48-76-21-11-8-12-22-76)128(194)108(70-178)221-146(118)219-102-58-84(50-78(6-2)136(102)225-150-134(200)132(198)122(188)74(4)213-150)98(180)32-18-36-158-140(202)86-56-96(172-64-92(162-166-172)80-24-14-28-88(152)52-80)124(190)100(60-86)217-148-130(196)120(126(192)106(68-176)223-148)174-66-94(164-168-174)82-26-16-30-90(154)54-82/h13-16,23-30,51-54,63-66,73-78,83-86,95-96,99-110,117-138,145-150,163,167,175-178,187-200H,5-12,17-22,31-50,55-62,67-72H2,1-4H3,(H,155,181)(H,156,182)(H,157,201)(H,158,202)(H,159,183)(H,160,184)(H,205,206)(H,207,208)/t73?,74?,77?,78?,83?,84?,85-,86-,95?,96?,99+,100+,101+,102+,103-,104-,105?,106?,107-,108-,109?,110?,117?,118?,119?,120?,121+,122+,123?,124?,125-,126-,127-,128-,129+,130+,131-,132-,133?,134?,135+,136+,137?,138?,145+,146+,147+,148+,149-,150-/m0/s1.

What are the key properties of (2S)-2-[(2R,5R,6S)-3-[[2-[1-[3-[2-[2-[2-[2-[3-[3-[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-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]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetyl]amino]-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,3R)-3-[(2R,3R,5R)-4-[5-(3-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[4-(3-fluorophenyl)triazol-1-yl]-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-[[2-[1-[3-[2-[2-[2-[2-[3-[3-[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-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]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetyl]amino]-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,3R)-3-[(2R,3R,5R)-4-[5-(3-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[4-(3-fluorophenyl)triazol-1-yl]-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 3247.53 g/mol, XLogP of -1.55, 74 rotatable bonds, 28 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2R,5R,6S)-3-[[2-[1-[3-[2-[2-[2-[2-[3-[3-[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-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]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylacetyl]amino]-2-[(1R,2R)-3-ethyl-5-[4-[[(1S,3R)-3-[(2R,3R,5R)-4-[5-(3-fluorophenyl)-1,2-dihydrotriazol-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[4-(3-fluorophenyl)triazol-1-yl]-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 167707453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).