(2S)-2-[(2R,5R)-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid

C130H178Cl2F6N16O45 — CID 167682302

About (2S)-2-[(2R,5R)-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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)-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid (PubChem CID 167682302) has the molecular formula C130H178Cl2F6N16O45 and a molecular weight of 2869.81 g/mol. Its IUPAC name is (2S)-2-[(2R,5R)-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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)-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid
• PubChem CID: 167682302
• Molecular Formula: C130H178Cl2F6N16O45
• Molecular Weight: 2869.81 g/mol
• Exact Mass: 2867.14
• IUPAC Name: (2S)-2-[(2R,5R)-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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](OCc2ccc(Cl)cc2)[C@@H]2OC(CO)[C@H](O)C(n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)C[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(=O)Cn2cc(COCCOCCOCCOCCOCc3cn(CC(=O)NC4C(O[C@@H](CC5CCCCC5)C(=O)O)[C@@H](O)C(CO)O[C@H]4O[C@@H]4CC(C(=O)CCCNC(=O)[C@@H](OCc5ccc(Cl)cc5)[C@@H]5OC(CO)[C@H](O)C(n6cc(-c7cc(F)c(F)c(F)c7)nn6)[C@H]5O)CC(CC)[C@H]4O[C@@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)nn3)nn2)[C@@H]1O[C@@H]1OC(C)[C@@H](O)C(O)[C@@H]1O
• InChI: InChI=1S/C130H178Cl2F6N16O45/c1-5-69-41-73(85(159)19-13-29-139-123(175)121(186-59-67-21-25-75(131)26-22-67)119-109(169)101(105(165)91(55-155)192-119)153-51-83(145-149-153)71-43-79(133)97(137)80(134)44-71)47-87(115(69)198-129-113(173)111(171)103(163)63(3)188-129)194-127-99(117(107(167)93(57-157)196-127)190-89(125(177)178)39-65-15-9-7-10-16-65)141-95(161)53-151-49-77(143-147-151)61-184-37-35-182-33-31-181-32-34-183-36-38-185-62-78-50-152(148-144-78)54-96(162)142-100-118(191-90(126(179)180)40-66-17-11-8-12-18-66)108(168)94(58-158)197-128(100)195-88-48-74(42-70(6-2)116(88)199-130-114(174)112(172)104(164)64(4)189-130)86(160)20-14-30-140-124(176)122(187-60-68-23-27-76(132)28-24-68)120-110(170)102(106(166)92(56-156)193-120)154-52-84(146-150-154)72-45-81(135)98(138)82(136)46-72/h21-28,43-46,49-52,63-66,69-70,73-74,87-94,99-122,127-130,155-158,163-174H,5-20,29-42,47-48,53-62H2,1-4H3,(H,139,175)(H,140,176)(H,141,161)(H,142,162)(H,177,178)(H,179,180)/t63?,64?,69?,70?,73?,74?,87-,88-,89+,90+,91?,92?,93?,94?,99?,100?,101?,102?,103-,104-,105+,106+,107+,108+,109-,110-,111?,112?,113+,114+,115-,116-,117?,118?,119-,120-,121+,122+,127-,128-,129+,130+/m1/s1
• InChIKey: VSGRHBGYMCVGIP-JVQOOTIJSA-N
• XLogP: 1.67
• TPSA: 847.03 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 55
• Rotatable Bonds: 70
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2869.81
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,5R)-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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)-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid (CID 167682302) is (2S)-2-[(2R,5R)-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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)-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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)-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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](OCc2ccc(Cl)cc2)[C@@H]2OC(CO)[C@H](O)C(n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O)C[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(=O)Cn2cc(COCCOCCOCCOCCOCc3cn(CC(=O)NC4C(O[C@@H](CC5CCCCC5)C(=O)O)[C@@H](O)C(CO)O[C@H]4O[C@@H]4CC(C(=O)CCCNC(=O)[C@@H](OCc5ccc(Cl)cc5)[C@@H]5OC(CO)[C@H](O)C(n6cc(-c7cc(F)c(F)c(F)c7)nn6)[C@H]5O)CC(CC)[C@H]4O[C@@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)nn3)nn2)[C@@H]1O[C@@H]1OC(C)[C@@H](O)C(O)[C@@H]1O.

What is the InChIKey of (2S)-2-[(2R,5R)-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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 VSGRHBGYMCVGIP-JVQOOTIJSA-N. The full InChI is InChI=1S/C130H178Cl2F6N16O45/c1-5-69-41-73(85(159)19-13-29-139-123(175)121(186-59-67-21-25-75(131)26-22-67)119-109(169)101(105(165)91(55-155)192-119)153-51-83(145-149-153)71-43-79(133)97(137)80(134)44-71)47-87(115(69)198-129-113(173)111(171)103(163)63(3)188-129)194-127-99(117(107(167)93(57-157)196-127)190-89(125(177)178)39-65-15-9-7-10-16-65)141-95(161)53-151-49-77(143-147-151)61-184-37-35-182-33-31-181-32-34-183-36-38-185-62-78-50-152(148-144-78)54-96(162)142-100-118(191-90(126(179)180)40-66-17-11-8-12-18-66)108(168)94(58-158)197-128(100)195-88-48-74(42-70(6-2)116(88)199-130-114(174)112(172)104(164)64(4)189-130)86(160)20-14-30-140-124(176)122(187-60-68-23-27-76(132)28-24-68)120-110(170)102(106(166)92(56-156)193-120)154-52-84(146-150-154)72-45-81(135)98(138)82(136)46-72/h21-28,43-46,49-52,63-66,69-70,73-74,87-94,99-122,127-130,155-158,163-174H,5-20,29-42,47-48,53-62H2,1-4H3,(H,139,175)(H,140,176)(H,141,161)(H,142,162)(H,177,178)(H,179,180)/t63?,64?,69?,70?,73?,74?,87-,88-,89+,90+,91?,92?,93?,94?,99?,100?,101?,102?,103-,104-,105+,106+,107+,108+,109-,110-,111?,112?,113+,114+,115-,116-,117?,118?,119-,120-,121+,122+,127-,128-,129+,130+/m1/s1.

What are the key properties of (2S)-2-[(2R,5R)-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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)-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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 2869.81 g/mol, XLogP of 1.67, 70 rotatable bonds, 22 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2R,5R)-3-[[2-[4-[2-[2-[2-[2-[[1-[2-[[(2R,5R)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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]-2-[(1R,2R)-5-[4-[[(2S)-2-[(4-chlorophenyl)methoxy]-2-[(2R,3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]acetyl]amino]butanoyl]-3-ethyl-2-[(2S,3S,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 167682302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).