tert-butyl (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropylmethylsulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate

C149H199Cl2F3N12O39S6 — CID 158141870

About tert-butyl (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropylmethylsulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate

tert-butyl (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropylmethylsulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate (PubChem CID 158141870) has the molecular formula C149H199Cl2F3N12O39S6 and a molecular weight of 3102.58 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropylmethylsulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropylmethylsulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate
• PubChem CID: 158141870
• Molecular Formula: C149H199Cl2F3N12O39S6
• Molecular Weight: 3102.58 g/mol
• Exact Mass: 3099.16
• IUPAC Name: tert-butyl (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropylmethylsulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate
• SMILES: C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(OCC)nc3ccsc23)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)OC1CC1.CCOc1cc(O[C@@H]2C[C@@H](C(=O)C[C@]3(C(=O)NS(=O)(=O)OC4CC4)C[C@H]3CC)N(C(=O)[C@@H](CC(=O)OC3CCCC3)C(C)(C)C)C2)c2sccc2n1.CC[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2nccc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C(F)(F)F)C(C)(C)C)C(=O)NS(=O)(=O)OC1CC1.CC[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2nccc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)CC1CC1
• InChI: InChI=1S/C38H52ClN3O9S.C37H47ClF3N3O10S.C37H51N3O10S2.C37H49N3O10S2/c1-9-23-18-38(23,35(46)41-52(47,48)21-22-10-11-22)19-29(43)28-16-24(50-33-26-12-13-30(49-8)32(39)25(26)14-15-40-33)20-42(28)34(45)27(36(2,3)4)17-31(44)51-37(5,6)7;1-8-20-17-36(20,33(48)43-55(49,50)54-21-9-10-21)18-27(45)26-15-22(52-31-24-11-12-28(51-7)30(38)23(24)13-14-42-31)19-44(26)32(47)25(34(2,3)4)16-29(46)53-35(5,6)37(39,40)41;2*1-6-22-19-37(22,35(44)39-52(45,46)50-24-12-13-24)20-29(41)28-16-25(48-30-18-31(47-7-2)38-27-14-15-51-33(27)30)21-40(28)34(43)26(36(3,4)5)17-32(42)49-23-10-8-9-11-23/h12-15,22-24,27-28H,9-11,16-21H2,1-8H3,(H,41,46);11-14,20-22,25-26H,8-10,15-19H2,1-7H3,(H,43,48);14-15,18,22-26,28H,6-13,16-17,19-21H2,1-5H3,(H,39,44);6,14-15,18,22-26,28H,1,7-13,16-17,19-21H2,2-5H3,(H,39,44)/t23-,24-,27-,28+,38-;20-,22-,25-,26+,36-;2*22-,25-,26-,28+,37-/m1111/s1
• InChIKey: FUAQSOPEUVZBHL-VAFIKYHVSA-N
• XLogP: 22.74
• TPSA: 660.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 45
• Rotatable Bonds: 61
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3102.58
LogP ≤ 5	22.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropylmethylsulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate?

The IUPAC name of tert-butyl (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropylmethylsulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate (CID 158141870) is tert-butyl (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropylmethylsulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate.

What is the SMILES notation for tert-butyl (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropylmethylsulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate?

The canonical SMILES for tert-butyl (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropylmethylsulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate is C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(OCC)nc3ccsc23)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)OC1CC1.CCOc1cc(O[C@@H]2C[C@@H](C(=O)C[C@]3(C(=O)NS(=O)(=O)OC4CC4)C[C@H]3CC)N(C(=O)[C@@H](CC(=O)OC3CCCC3)C(C)(C)C)C2)c2sccc2n1.CC[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2nccc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C(F)(F)F)C(C)(C)C)C(=O)NS(=O)(=O)OC1CC1.CC[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2nccc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)CC1CC1.

What is the InChIKey of tert-butyl (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropylmethylsulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate?

The InChIKey is FUAQSOPEUVZBHL-VAFIKYHVSA-N. The full InChI is InChI=1S/C38H52ClN3O9S.C37H47ClF3N3O10S.C37H51N3O10S2.C37H49N3O10S2/c1-9-23-18-38(23,35(46)41-52(47,48)21-22-10-11-22)19-29(43)28-16-24(50-33-26-12-13-30(49-8)32(39)25(26)14-15-40-33)20-42(28)34(45)27(36(2,3)4)17-31(44)51-37(5,6)7;1-8-20-17-36(20,33(48)43-55(49,50)54-21-9-10-21)18-27(45)26-15-22(52-31-24-11-12-28(51-7)30(38)23(24)13-14-42-31)19-44(26)32(47)25(34(2,3)4)16-29(46)53-35(5,6)37(39,40)41;2*1-6-22-19-37(22,35(44)39-52(45,46)50-24-12-13-24)20-29(41)28-16-25(48-30-18-31(47-7-2)38-27-14-15-51-33(27)30)21-40(28)34(43)26(36(3,4)5)17-32(42)49-23-10-8-9-11-23/h12-15,22-24,27-28H,9-11,16-21H2,1-8H3,(H,41,46);11-14,20-22,25-26H,8-10,15-19H2,1-7H3,(H,43,48);14-15,18,22-26,28H,6-13,16-17,19-21H2,1-5H3,(H,39,44);6,14-15,18,22-26,28H,1,7-13,16-17,19-21H2,2-5H3,(H,39,44)/t23-,24-,27-,28+,38-;20-,22-,25-,26+,36-;2*22-,25-,26-,28+,37-/m1111/s1.

What are the key properties of tert-butyl (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropylmethylsulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate?

tert-butyl (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropylmethylsulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate has a molecular weight of 3102.58 g/mol, XLogP of 22.74, 61 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropylmethylsulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(5-ethoxythieno[3,2-b]pyridin-7-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-3-[(2S,4R)-4-(5-chloro-6-methoxyisoquinolin-1-yl)oxy-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate is sourced from PubChem (CID 158141870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).