(2S)-4-[6-methoxy-5-[4-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]butyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[6-methoxy-4-[3-[5-methoxy-2-(4-oxopentanoyl)-1-benzothiophen-6-yl]propyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid;4-[6-methoxy-5-[4-[6-methoxy-2-(4-oxopentanoyl)thieno[3,2-b]pyridin-5-yl]butyl]-1-benzothiophen-2-yl]-4-oxobutanoic acid;(2S)-2-methyl-4-[25-[(3S)-3-methyl-4-oxopentanoyl]-2,6,16,20-tetraoxa-10,24-dithiapentacyclo[19.7.0.07,15.09,13.023,27]octacosa-1(21),7(15),8,11,13,22,25,27-octaen-11-yl]-4-oxobutanoic acid

C190H205NO45S12 — CID 161023192

About (2S)-4-[6-methoxy-5-[4-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]butyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[6-methoxy-4-[3-[5-methoxy-2-(4-oxopentanoyl)-1-benzothiophen-6-yl]propyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid;4-[6-methoxy-5-[4-[6-methoxy-2-(4-oxopentanoyl)thieno[3,2-b]pyridin-5-yl]butyl]-1-benzothiophen-2-yl]-4-oxobutanoic acid;(2S)-2-methyl-4-[25-[(3S)-3-methyl-4-oxopentanoyl]-2,6,16,20-tetraoxa-10,24-dithiapentacyclo[19.7.0.07,15.09,13.023,27]octacosa-1(21),7(15),8,11,13,22,25,27-octaen-11-yl]-4-oxobutanoic acid

(2S)-4-[6-methoxy-5-[4-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]butyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[6-methoxy-4-[3-[5-methoxy-2-(4-oxopentanoyl)-1-benzothiophen-6-yl]propyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid;4-[6-methoxy-5-[4-[6-methoxy-2-(4-oxopentanoyl)thieno[3,2-b]pyridin-5-yl]butyl]-1-benzothiophen-2-yl]-4-oxobutanoic acid;(2S)-2-methyl-4-[25-[(3S)-3-methyl-4-oxopentanoyl]-2,6,16,20-tetraoxa-10,24-dithiapentacyclo[19.7.0.07,15.09,13.023,27]octacosa-1(21),7(15),8,11,13,22,25,27-octaen-11-yl]-4-oxobutanoic acid (PubChem CID 161023192) has the molecular formula C190H205NO45S12 and a molecular weight of 3607.50 g/mol. Its IUPAC name is (2S)-4-[6-methoxy-5-[4-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]butyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[6-methoxy-4-[3-[5-methoxy-2-(4-oxopentanoyl)-1-benzothiophen-6-yl]propyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid;4-[6-methoxy-5-[4-[6-methoxy-2-(4-oxopentanoyl)thieno[3,2-b]pyridin-5-yl]butyl]-1-benzothiophen-2-yl]-4-oxobutanoic acid;(2S)-2-methyl-4-[25-[(3S)-3-methyl-4-oxopentanoyl]-2,6,16,20-tetraoxa-10,24-dithiapentacyclo[19.7.0.07,15.09,13.023,27]octacosa-1(21),7(15),8,11,13,22,25,27-octaen-11-yl]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: (2S)-4-[6-methoxy-5-[4-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]butyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[6-methoxy-4-[3-[5-methoxy-2-(4-oxopentanoyl)-1-benzothiophen-6-yl]propyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid;4-[6-methoxy-5-[4-[6-methoxy-2-(4-oxopentanoyl)thieno[3,2-b]pyridin-5-yl]butyl]-1-benzothiophen-2-yl]-4-oxobutanoic acid;(2S)-2-methyl-4-[25-[(3S)-3-methyl-4-oxopentanoyl]-2,6,16,20-tetraoxa-10,24-dithiapentacyclo[19.7.0.07,15.09,13.023,27]octacosa-1(21),7(15),8,11,13,22,25,27-octaen-11-yl]-4-oxobutanoic acid
• PubChem CID: 161023192
• Molecular Formula: C190H205NO45S12
• Molecular Weight: 3607.50 g/mol
• Exact Mass: 3604.04
• IUPAC Name: (2S)-4-[6-methoxy-5-[4-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]butyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[6-methoxy-4-[3-[5-methoxy-2-(4-oxopentanoyl)-1-benzothiophen-6-yl]propyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid;4-[6-methoxy-5-[4-[6-methoxy-2-(4-oxopentanoyl)thieno[3,2-b]pyridin-5-yl]butyl]-1-benzothiophen-2-yl]-4-oxobutanoic acid;(2S)-2-methyl-4-[25-[(3S)-3-methyl-4-oxopentanoyl]-2,6,16,20-tetraoxa-10,24-dithiapentacyclo[19.7.0.07,15.09,13.023,27]octacosa-1(21),7(15),8,11,13,22,25,27-octaen-11-yl]-4-oxobutanoic acid
• SMILES: CC(=O)[C@@H](C)CC(=O)c1cc2cc3c(cc2s1)OCCCOc1cc2cc(C(=O)C[C@H](C)C(=O)O)sc2cc1OCCCO3.COc1cc2cc(C(=O)CCC(C)=O)sc2cc1CCCC1CC(OC)CC2SC(C(=O)CCC(=O)O)=CC12.COc1cc2sc(C(=O)CCC(=O)O)cc2cc1CCCCc1nc2cc(C(=O)CCC(C)=O)sc2cc1OC.COc1cc2sc(C(=O)C[C@H](C)C(=O)O)cc2cc1CCCOc1cc2cc(C(=O)C[C@H](C)C(C)=O)sc2cc1OC.COc1cc2sc(C(=O)C[C@H](C)C(C)=O)cc2cc1CCCCc1cc2cc(C(=O)C[C@H](C)C(=O)O)sc2cc1OC.COc1cc2sc(C(=O)C[C@H](C)C(C)=O)cc2cc1CCCc1cc2cc(C(=O)C[C@H](C)C(=O)O)sc2cc1OC
• InChI: InChI=1S/C33H34O9S2.C33H36O7S2.C32H34O8S2.C32H34O7S2.C30H31NO7S2.C30H36O7S2/c1-18(20(3)34)10-23(35)31-14-21-12-25-27(16-29(21)43-31)41-8-5-7-40-26-13-22-15-32(24(36)11-19(2)33(37)38)44-30(22)17-28(26)42-9-4-6-39-25;1-18(20(3)34)10-25(35)31-14-23-12-21(27(39-4)16-29(23)41-31)8-6-7-9-22-13-24-15-32(26(36)11-19(2)33(37)38)42-30(24)17-28(22)40-5;1-17(19(3)33)9-23(34)31-14-22-12-27(26(39-5)16-29(22)42-31)40-8-6-7-20-11-21-13-30(24(35)10-18(2)32(36)37)41-28(21)15-25(20)38-4;1-17(19(3)33)9-24(34)30-13-22-11-20(26(38-4)15-28(22)40-30)7-6-8-21-12-23-14-31(25(35)10-18(2)32(36)37)41-29(23)16-27(21)39-5;1-17(32)8-9-22(33)29-14-21-27(40-29)16-25(38-3)20(31-21)7-5-4-6-18-12-19-13-28(23(34)10-11-30(35)36)39-26(19)15-24(18)37-2;1-17(31)7-8-23(32)28-14-20-12-25(37-3)19(13-26(20)38-28)6-4-5-18-11-21(36-2)15-27-22(18)16-29(39-27)24(33)9-10-30(34)35/h12-19H,4-11H2,1-3H3,(H,37,38);12-19H,6-11H2,1-5H3,(H,37,38);11-18H,6-10H2,1-5H3,(H,36,37);11-18H,6-10H2,1-5H3,(H,36,37);12-16H,4-11H2,1-3H3,(H,35,36);12-14,16,18,21-22,27H,4-11,15H2,1-3H3,(H,34,35)/t2*18-,19-;2*17-,18-;;/m0000../s1
• InChIKey: TYQKCGLJOHRPNZ-PZUQIVJBSA-N
• XLogP: 42.59
• TPSA: 682.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 52
• Rotatable Bonds: 81
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3607.50
LogP ≤ 5	42.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[6-methoxy-5-[4-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]butyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[6-methoxy-4-[3-[5-methoxy-2-(4-oxopentanoyl)-1-benzothiophen-6-yl]propyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid;4-[6-methoxy-5-[4-[6-methoxy-2-(4-oxopentanoyl)thieno[3,2-b]pyridin-5-yl]butyl]-1-benzothiophen-2-yl]-4-oxobutanoic acid;(2S)-2-methyl-4-[25-[(3S)-3-methyl-4-oxopentanoyl]-2,6,16,20-tetraoxa-10,24-dithiapentacyclo[19.7.0.07,15.09,13.023,27]octacosa-1(21),7(15),8,11,13,22,25,27-octaen-11-yl]-4-oxobutanoic acid?

The IUPAC name of (2S)-4-[6-methoxy-5-[4-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]butyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[6-methoxy-4-[3-[5-methoxy-2-(4-oxopentanoyl)-1-benzothiophen-6-yl]propyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid;4-[6-methoxy-5-[4-[6-methoxy-2-(4-oxopentanoyl)thieno[3,2-b]pyridin-5-yl]butyl]-1-benzothiophen-2-yl]-4-oxobutanoic acid;(2S)-2-methyl-4-[25-[(3S)-3-methyl-4-oxopentanoyl]-2,6,16,20-tetraoxa-10,24-dithiapentacyclo[19.7.0.07,15.09,13.023,27]octacosa-1(21),7(15),8,11,13,22,25,27-octaen-11-yl]-4-oxobutanoic acid (CID 161023192) is (2S)-4-[6-methoxy-5-[4-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]butyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[6-methoxy-4-[3-[5-methoxy-2-(4-oxopentanoyl)-1-benzothiophen-6-yl]propyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid;4-[6-methoxy-5-[4-[6-methoxy-2-(4-oxopentanoyl)thieno[3,2-b]pyridin-5-yl]butyl]-1-benzothiophen-2-yl]-4-oxobutanoic acid;(2S)-2-methyl-4-[25-[(3S)-3-methyl-4-oxopentanoyl]-2,6,16,20-tetraoxa-10,24-dithiapentacyclo[19.7.0.07,15.09,13.023,27]octacosa-1(21),7(15),8,11,13,22,25,27-octaen-11-yl]-4-oxobutanoic acid.

What is the SMILES notation for (2S)-4-[6-methoxy-5-[4-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]butyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[6-methoxy-4-[3-[5-methoxy-2-(4-oxopentanoyl)-1-benzothiophen-6-yl]propyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid;4-[6-methoxy-5-[4-[6-methoxy-2-(4-oxopentanoyl)thieno[3,2-b]pyridin-5-yl]butyl]-1-benzothiophen-2-yl]-4-oxobutanoic acid;(2S)-2-methyl-4-[25-[(3S)-3-methyl-4-oxopentanoyl]-2,6,16,20-tetraoxa-10,24-dithiapentacyclo[19.7.0.07,15.09,13.023,27]octacosa-1(21),7(15),8,11,13,22,25,27-octaen-11-yl]-4-oxobutanoic acid?

The canonical SMILES for (2S)-4-[6-methoxy-5-[4-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]butyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[6-methoxy-4-[3-[5-methoxy-2-(4-oxopentanoyl)-1-benzothiophen-6-yl]propyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid;4-[6-methoxy-5-[4-[6-methoxy-2-(4-oxopentanoyl)thieno[3,2-b]pyridin-5-yl]butyl]-1-benzothiophen-2-yl]-4-oxobutanoic acid;(2S)-2-methyl-4-[25-[(3S)-3-methyl-4-oxopentanoyl]-2,6,16,20-tetraoxa-10,24-dithiapentacyclo[19.7.0.07,15.09,13.023,27]octacosa-1(21),7(15),8,11,13,22,25,27-octaen-11-yl]-4-oxobutanoic acid is CC(=O)[C@@H](C)CC(=O)c1cc2cc3c(cc2s1)OCCCOc1cc2cc(C(=O)C[C@H](C)C(=O)O)sc2cc1OCCCO3.COc1cc2cc(C(=O)CCC(C)=O)sc2cc1CCCC1CC(OC)CC2SC(C(=O)CCC(=O)O)=CC12.COc1cc2sc(C(=O)CCC(=O)O)cc2cc1CCCCc1nc2cc(C(=O)CCC(C)=O)sc2cc1OC.COc1cc2sc(C(=O)C[C@H](C)C(=O)O)cc2cc1CCCOc1cc2cc(C(=O)C[C@H](C)C(C)=O)sc2cc1OC.COc1cc2sc(C(=O)C[C@H](C)C(C)=O)cc2cc1CCCCc1cc2cc(C(=O)C[C@H](C)C(=O)O)sc2cc1OC.COc1cc2sc(C(=O)C[C@H](C)C(C)=O)cc2cc1CCCc1cc2cc(C(=O)C[C@H](C)C(=O)O)sc2cc1OC.

What is the InChIKey of (2S)-4-[6-methoxy-5-[4-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]butyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[6-methoxy-4-[3-[5-methoxy-2-(4-oxopentanoyl)-1-benzothiophen-6-yl]propyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid;4-[6-methoxy-5-[4-[6-methoxy-2-(4-oxopentanoyl)thieno[3,2-b]pyridin-5-yl]butyl]-1-benzothiophen-2-yl]-4-oxobutanoic acid;(2S)-2-methyl-4-[25-[(3S)-3-methyl-4-oxopentanoyl]-2,6,16,20-tetraoxa-10,24-dithiapentacyclo[19.7.0.07,15.09,13.023,27]octacosa-1(21),7(15),8,11,13,22,25,27-octaen-11-yl]-4-oxobutanoic acid?

The InChIKey is TYQKCGLJOHRPNZ-PZUQIVJBSA-N. The full InChI is InChI=1S/C33H34O9S2.C33H36O7S2.C32H34O8S2.C32H34O7S2.C30H31NO7S2.C30H36O7S2/c1-18(20(3)34)10-23(35)31-14-21-12-25-27(16-29(21)43-31)41-8-5-7-40-26-13-22-15-32(24(36)11-19(2)33(37)38)44-30(22)17-28(26)42-9-4-6-39-25;1-18(20(3)34)10-25(35)31-14-23-12-21(27(39-4)16-29(23)41-31)8-6-7-9-22-13-24-15-32(26(36)11-19(2)33(37)38)42-30(24)17-28(22)40-5;1-17(19(3)33)9-23(34)31-14-22-12-27(26(39-5)16-29(22)42-31)40-8-6-7-20-11-21-13-30(24(35)10-18(2)32(36)37)41-28(21)15-25(20)38-4;1-17(19(3)33)9-24(34)30-13-22-11-20(26(38-4)15-28(22)40-30)7-6-8-21-12-23-14-31(25(35)10-18(2)32(36)37)41-29(23)16-27(21)39-5;1-17(32)8-9-22(33)29-14-21-27(40-29)16-25(38-3)20(31-21)7-5-4-6-18-12-19-13-28(23(34)10-11-30(35)36)39-26(19)15-24(18)37-2;1-17(31)7-8-23(32)28-14-20-12-25(37-3)19(13-26(20)38-28)6-4-5-18-11-21(36-2)15-27-22(18)16-29(39-27)24(33)9-10-30(34)35/h12-19H,4-11H2,1-3H3,(H,37,38);12-19H,6-11H2,1-5H3,(H,37,38);11-18H,6-10H2,1-5H3,(H,36,37);11-18H,6-10H2,1-5H3,(H,36,37);12-16H,4-11H2,1-3H3,(H,35,36);12-14,16,18,21-22,27H,4-11,15H2,1-3H3,(H,34,35)/t2*18-,19-;2*17-,18-;;/m0000../s1.

What are the key properties of (2S)-4-[6-methoxy-5-[4-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]butyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[6-methoxy-4-[3-[5-methoxy-2-(4-oxopentanoyl)-1-benzothiophen-6-yl]propyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid;4-[6-methoxy-5-[4-[6-methoxy-2-(4-oxopentanoyl)thieno[3,2-b]pyridin-5-yl]butyl]-1-benzothiophen-2-yl]-4-oxobutanoic acid;(2S)-2-methyl-4-[25-[(3S)-3-methyl-4-oxopentanoyl]-2,6,16,20-tetraoxa-10,24-dithiapentacyclo[19.7.0.07,15.09,13.023,27]octacosa-1(21),7(15),8,11,13,22,25,27-octaen-11-yl]-4-oxobutanoic acid?

(2S)-4-[6-methoxy-5-[4-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]butyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[6-methoxy-4-[3-[5-methoxy-2-(4-oxopentanoyl)-1-benzothiophen-6-yl]propyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid;4-[6-methoxy-5-[4-[6-methoxy-2-(4-oxopentanoyl)thieno[3,2-b]pyridin-5-yl]butyl]-1-benzothiophen-2-yl]-4-oxobutanoic acid;(2S)-2-methyl-4-[25-[(3S)-3-methyl-4-oxopentanoyl]-2,6,16,20-tetraoxa-10,24-dithiapentacyclo[19.7.0.07,15.09,13.023,27]octacosa-1(21),7(15),8,11,13,22,25,27-octaen-11-yl]-4-oxobutanoic acid has a molecular weight of 3607.50 g/mol, XLogP of 42.59, 81 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[6-methoxy-5-[4-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]butyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]oxy]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;(2S)-4-[6-methoxy-5-[3-[6-methoxy-2-[(3S)-3-methyl-4-oxopentanoyl]-1-benzothiophen-5-yl]propyl]-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoic acid;4-[6-methoxy-4-[3-[5-methoxy-2-(4-oxopentanoyl)-1-benzothiophen-6-yl]propyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid;4-[6-methoxy-5-[4-[6-methoxy-2-(4-oxopentanoyl)thieno[3,2-b]pyridin-5-yl]butyl]-1-benzothiophen-2-yl]-4-oxobutanoic acid;(2S)-2-methyl-4-[25-[(3S)-3-methyl-4-oxopentanoyl]-2,6,16,20-tetraoxa-10,24-dithiapentacyclo[19.7.0.07,15.09,13.023,27]octacosa-1(21),7(15),8,11,13,22,25,27-octaen-11-yl]-4-oxobutanoic acid is sourced from PubChem (CID 161023192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).