(2S)-4-[4-bromo-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-bromo-6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-chloro-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[5-[3-[[2-(3,3-dimethyl-4-oxopentyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid

C194H208Br2Cl3F5O49S12 — CID 158258656

About (2S)-4-[4-bromo-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-bromo-6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-chloro-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[5-[3-[[2-(3,3-dimethyl-4-oxopentyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid

(2S)-4-[4-bromo-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-bromo-6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-chloro-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[5-[3-[[2-(3,3-dimethyl-4-oxopentyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 158258656) has the molecular formula C194H208Br2Cl3F5O49S12 and a molecular weight of 4069.71 g/mol. Its IUPAC name is (2S)-4-[4-bromo-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-bromo-6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-chloro-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[5-[3-[[2-(3,3-dimethyl-4-oxopentyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

• Compound Name: (2S)-4-[4-bromo-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-bromo-6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-chloro-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[5-[3-[[2-(3,3-dimethyl-4-oxopentyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid
• PubChem CID: 158258656
• Molecular Formula: C194H208Br2Cl3F5O49S12
• Molecular Weight: 4069.71 g/mol
• Exact Mass: 4062.78
• IUPAC Name: (2S)-4-[4-bromo-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-bromo-6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-chloro-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[5-[3-[[2-(3,3-dimethyl-4-oxopentyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid
• SMILES: COc1cc2sc(C(=O)C[C@H](C)C(=O)O)cc2c(F)c1OCCCOc1c(OC)cc2sc(CC[C@H](C)C(C)=O)cc2c1Cl.COc1cc2sc(C(=O)C[C@H](C)C(=O)O)cc2cc1OCCCOc1c(OC)cc2sc(CC[C@H](C)C(C)=O)cc2c1Cl.COc1cc2sc(C(=O)C[C@H](C)C(C)=O)cc2cc1OCCCOc1c(OC)cc2sc(C(=O)C[C@H](C)C(=O)O)cc2c1Br.COc1cc2sc(CCC(C)(C)C(C)=O)cc2c(F)c1OCCCOc1c(OC)cc2sc(C(=O)CC(C)(C)C(=O)O)cc2c1F.COc1cc2sc(CC[C@H](C)C(C)=O)cc2c(F)c1OCCCOc1c(OC)cc2sc(C(=O)C[C@H](C)C(=O)O)cc2c1Br.COc1cc2sc(CC[C@H](C)C(C)=O)cc2c(F)c1OCCCOc1c(OC)cc2sc(C(=O)C[C@H](C)C(=O)O)cc2c1Cl
• InChI: InChI=1S/C34H38F2O8S2.C32H34BrFO8S2.C32H33BrO9S2.2C32H34ClFO8S2.C32H35ClO8S2/c1-18(37)33(2,3)10-9-19-13-20-25(45-19)15-23(41-6)30(28(20)35)43-11-8-12-44-31-24(42-7)16-26-21(29(31)36)14-27(46-26)22(38)17-34(4,5)32(39)40;1-16(18(3)35)7-8-19-12-21-26(43-19)15-24(40-5)31(29(21)34)42-10-6-9-41-30-23(39-4)14-25-20(28(30)33)13-27(44-25)22(36)11-17(2)32(37)38;1-16(18(3)34)9-21(35)28-12-19-11-24(23(39-4)14-26(19)43-28)41-7-6-8-42-31-25(40-5)15-27-20(30(31)33)13-29(44-27)22(36)10-17(2)32(37)38;1-16(18(3)35)7-8-19-12-21-26(43-19)15-24(40-5)31(29(21)34)42-10-6-9-41-30-23(39-4)14-25-20(28(30)33)13-27(44-25)22(36)11-17(2)32(37)38;1-16(18(3)35)7-8-19-12-20-25(43-19)14-23(39-4)30(28(20)33)41-9-6-10-42-31-24(40-5)15-26-21(29(31)34)13-27(44-26)22(36)11-17(2)32(37)38;1-17(19(3)34)7-8-21-14-22-28(42-21)16-26(39-5)31(30(22)33)41-10-6-9-40-25-12-20-13-29(23(35)11-18(2)32(36)37)43-27(20)15-24(25)38-4/h13-16H,8-12,17H2,1-7H3,(H,39,40);12-17H,6-11H2,1-5H3,(H,37,38);11-17H,6-10H2,1-5H3,(H,37,38);2*12-17H,6-11H2,1-5H3,(H,37,38);12-18H,6-11H2,1-5H3,(H,36,37)/t;4*16-,17-;17-,18-/m.00000/s1
• InChIKey: GHPGOUGGJLVUEQ-JBSLBYJGSA-N
• XLogP: 49.19
• TPSA: 667.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 55
• Rotatable Bonds: 96
• Heavy Atoms: 265
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4069.71
LogP ≤ 5	49.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[4-bromo-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-bromo-6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-chloro-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[5-[3-[[2-(3,3-dimethyl-4-oxopentyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid?

The IUPAC name of (2S)-4-[4-bromo-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-bromo-6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-chloro-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[5-[3-[[2-(3,3-dimethyl-4-oxopentyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid (CID 158258656) is (2S)-4-[4-bromo-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-bromo-6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-chloro-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[5-[3-[[2-(3,3-dimethyl-4-oxopentyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid.

What is the SMILES notation for (2S)-4-[4-bromo-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-bromo-6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-chloro-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[5-[3-[[2-(3,3-dimethyl-4-oxopentyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid?

The canonical SMILES for (2S)-4-[4-bromo-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-bromo-6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-chloro-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[5-[3-[[2-(3,3-dimethyl-4-oxopentyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid is COc1cc2sc(C(=O)C[C@H](C)C(=O)O)cc2c(F)c1OCCCOc1c(OC)cc2sc(CC[C@H](C)C(C)=O)cc2c1Cl.COc1cc2sc(C(=O)C[C@H](C)C(=O)O)cc2cc1OCCCOc1c(OC)cc2sc(CC[C@H](C)C(C)=O)cc2c1Cl.COc1cc2sc(C(=O)C[C@H](C)C(C)=O)cc2cc1OCCCOc1c(OC)cc2sc(C(=O)C[C@H](C)C(=O)O)cc2c1Br.COc1cc2sc(CCC(C)(C)C(C)=O)cc2c(F)c1OCCCOc1c(OC)cc2sc(C(=O)CC(C)(C)C(=O)O)cc2c1F.COc1cc2sc(CC[C@H](C)C(C)=O)cc2c(F)c1OCCCOc1c(OC)cc2sc(C(=O)C[C@H](C)C(=O)O)cc2c1Br.COc1cc2sc(CC[C@H](C)C(C)=O)cc2c(F)c1OCCCOc1c(OC)cc2sc(C(=O)C[C@H](C)C(=O)O)cc2c1Cl.

What is the InChIKey of (2S)-4-[4-bromo-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-bromo-6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-chloro-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[5-[3-[[2-(3,3-dimethyl-4-oxopentyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid?

The InChIKey is GHPGOUGGJLVUEQ-JBSLBYJGSA-N. The full InChI is InChI=1S/C34H38F2O8S2.C32H34BrFO8S2.C32H33BrO9S2.2C32H34ClFO8S2.C32H35ClO8S2/c1-18(37)33(2,3)10-9-19-13-20-25(45-19)15-23(41-6)30(28(20)35)43-11-8-12-44-31-24(42-7)16-26-21(29(31)36)14-27(46-26)22(38)17-34(4,5)32(39)40;1-16(18(3)35)7-8-19-12-21-26(43-19)15-24(40-5)31(29(21)34)42-10-6-9-41-30-23(39-4)14-25-20(28(30)33)13-27(44-25)22(36)11-17(2)32(37)38;1-16(18(3)34)9-21(35)28-12-19-11-24(23(39-4)14-26(19)43-28)41-7-6-8-42-31-25(40-5)15-27-20(30(31)33)13-29(44-27)22(36)10-17(2)32(37)38;1-16(18(3)35)7-8-19-12-21-26(43-19)15-24(40-5)31(29(21)34)42-10-6-9-41-30-23(39-4)14-25-20(28(30)33)13-27(44-25)22(36)11-17(2)32(37)38;1-16(18(3)35)7-8-19-12-20-25(43-19)14-23(39-4)30(28(20)33)41-9-6-10-42-31-24(40-5)15-26-21(29(31)34)13-27(44-26)22(36)11-17(2)32(37)38;1-17(19(3)34)7-8-21-14-22-28(42-21)16-26(39-5)31(30(22)33)41-10-6-9-40-25-12-20-13-29(23(35)11-18(2)32(36)37)43-27(20)15-24(25)38-4/h13-16H,8-12,17H2,1-7H3,(H,39,40);12-17H,6-11H2,1-5H3,(H,37,38);11-17H,6-10H2,1-5H3,(H,37,38);2*12-17H,6-11H2,1-5H3,(H,37,38);12-18H,6-11H2,1-5H3,(H,36,37)/t;4*16-,17-;17-,18-/m.00000/s1.

What are the key properties of (2S)-4-[4-bromo-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-bromo-6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-chloro-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[5-[3-[[2-(3,3-dimethyl-4-oxopentyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid?

(2S)-4-[4-bromo-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-bromo-6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-chloro-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[5-[3-[[2-(3,3-dimethyl-4-oxopentyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 4069.71 g/mol, XLogP of 49.19, 96 rotatable bonds, 6 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[4-bromo-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-bromo-6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propoxy]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[4-chloro-5-[3-[[4-fluoro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[5-[3-[[4-chloro-6-methoxy-2-[(3S)-3-methyl-4-oxopentyl]-1-benzothiophen-5-yl]oxy]propoxy]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[5-[3-[[2-(3,3-dimethyl-4-oxopentyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 158258656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).