tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;(2-methyl-1-morpholin-4-ylpropan-2-yl) 3-[2-[2-[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-4-[(2S)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3-(oxan-4-yl)-4-oxobutanoate

C155H203F9N14O42S4 — CID 158819499

About tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;(2-methyl-1-morpholin-4-ylpropan-2-yl) 3-[2-[2-[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-4-[(2S)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3-(oxan-4-yl)-4-oxobutanoate

tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;(2-methyl-1-morpholin-4-ylpropan-2-yl) 3-[2-[2-[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-4-[(2S)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3-(oxan-4-yl)-4-oxobutanoate (PubChem CID 158819499) has the molecular formula C155H203F9N14O42S4 and a molecular weight of 3233.63 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;(2-methyl-1-morpholin-4-ylpropan-2-yl) 3-[2-[2-[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-4-[(2S)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3-(oxan-4-yl)-4-oxobutanoate.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;(2-methyl-1-morpholin-4-ylpropan-2-yl) 3-[2-[2-[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-4-[(2S)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3-(oxan-4-yl)-4-oxobutanoate
• PubChem CID: 158819499
• Molecular Formula: C155H203F9N14O42S4
• Molecular Weight: 3233.63 g/mol
• Exact Mass: 3231.29
• IUPAC Name: tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;(2-methyl-1-morpholin-4-ylpropan-2-yl) 3-[2-[2-[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-4-[(2S)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3-(oxan-4-yl)-4-oxobutanoate
• SMILES: CCC1CC1(CC(=O)C1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)C(CC(=O)OC(C)(C)CN1CCOCC1)C(C)(C)C)C(=O)NS(=O)(=O)OC1(C)CC1.CC[C@@H]1C[C@]1(CC(=O)[C@@H]1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C(F)(F)F)C1CCOCC1)C(=O)NS(=O)(=O)OC1(C)CC1.CC[C@@H]1C[C@]1(CC(=O)[C@@H]1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C(F)(F)F)C(F)(F)F)C(=O)NS(=O)(=O)OC1CC1.COc1ccc2c(O[C@@H]3C[C@@H](C(=O)C[C@]4(C(=O)NS(=O)(=O)OC5(C)CC5)C[C@H]4CC#N)N(C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C3)nccc2c1
• InChI: InChI=1S/C42H60N4O11S.C39H50F3N3O11S.C38H50N4O10S.C36H43F6N3O10S/c1-9-28-23-42(28,38(50)44-58(51,52)57-41(7)13-14-41)24-34(47)33-21-30(55-36-31-11-10-29(53-8)20-27(31)12-15-43-36)25-46(33)37(49)32(39(2,3)4)22-35(48)56-40(5,6)26-45-16-18-54-19-17-45;1-6-25-20-38(25,35(49)44-57(50,51)56-37(4)12-13-37)21-31(46)30-18-27(54-33-28-8-7-26(52-5)17-24(28)9-14-43-33)22-45(30)34(48)29(23-10-15-53-16-11-23)19-32(47)55-36(2,3)39(40,41)42;1-35(2,3)28(19-31(44)51-36(4,5)6)33(45)42-22-26(50-32-27-10-9-25(49-8)17-23(27)12-16-40-32)18-29(42)30(43)21-38(20-24(38)11-15-39)34(46)41-53(47,48)52-37(7)13-14-37;1-6-20-16-34(20,32(49)44-56(50,51)55-21-7-8-21)17-27(46)26-14-23(53-30-24-10-9-22(52-5)13-19(24)11-12-43-30)18-45(26)31(48)25(15-28(47)54-33(2,3)4)29(35(37,38)39)36(40,41)42/h10-12,15,20,28,30,32-33H,9,13-14,16-19,21-26H2,1-8H3,(H,44,50);7-9,14,17,23,25,27,29-30H,6,10-13,15-16,18-22H2,1-5H3,(H,44,49);9-10,12,16-17,24,26,28-29H,11,13-14,18-22H2,1-8H3,(H,41,46);9-13,20-21,23,25-26,29H,6-8,14-18H2,1-5H3,(H,44,49)/t;25-,27?,29+,30+,38-;24-,26-,28-,29+,38-;20-,23?,25+,26+,34-/m.111/s1
• InChIKey: IVRNXKOOMGIHCR-QNTCWXIDSA-N
• XLogP: 20.21
• TPSA: 715.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 48
• Rotatable Bonds: 62
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3233.63
LogP ≤ 5	20.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;(2-methyl-1-morpholin-4-ylpropan-2-yl) 3-[2-[2-[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-4-[(2S)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3-(oxan-4-yl)-4-oxobutanoate?

The IUPAC name of tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;(2-methyl-1-morpholin-4-ylpropan-2-yl) 3-[2-[2-[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-4-[(2S)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3-(oxan-4-yl)-4-oxobutanoate (CID 158819499) is tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;(2-methyl-1-morpholin-4-ylpropan-2-yl) 3-[2-[2-[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-4-[(2S)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3-(oxan-4-yl)-4-oxobutanoate.

What is the SMILES notation for tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;(2-methyl-1-morpholin-4-ylpropan-2-yl) 3-[2-[2-[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-4-[(2S)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3-(oxan-4-yl)-4-oxobutanoate?

The canonical SMILES for tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;(2-methyl-1-morpholin-4-ylpropan-2-yl) 3-[2-[2-[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-4-[(2S)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3-(oxan-4-yl)-4-oxobutanoate is CCC1CC1(CC(=O)C1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)C(CC(=O)OC(C)(C)CN1CCOCC1)C(C)(C)C)C(=O)NS(=O)(=O)OC1(C)CC1.CC[C@@H]1C[C@]1(CC(=O)[C@@H]1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C(F)(F)F)C1CCOCC1)C(=O)NS(=O)(=O)OC1(C)CC1.CC[C@@H]1C[C@]1(CC(=O)[C@@H]1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C(F)(F)F)C(F)(F)F)C(=O)NS(=O)(=O)OC1CC1.COc1ccc2c(O[C@@H]3C[C@@H](C(=O)C[C@]4(C(=O)NS(=O)(=O)OC5(C)CC5)C[C@H]4CC#N)N(C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C3)nccc2c1.

What is the InChIKey of tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;(2-methyl-1-morpholin-4-ylpropan-2-yl) 3-[2-[2-[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-4-[(2S)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3-(oxan-4-yl)-4-oxobutanoate?

The InChIKey is IVRNXKOOMGIHCR-QNTCWXIDSA-N. The full InChI is InChI=1S/C42H60N4O11S.C39H50F3N3O11S.C38H50N4O10S.C36H43F6N3O10S/c1-9-28-23-42(28,38(50)44-58(51,52)57-41(7)13-14-41)24-34(47)33-21-30(55-36-31-11-10-29(53-8)20-27(31)12-15-43-36)25-46(33)37(49)32(39(2,3)4)22-35(48)56-40(5,6)26-45-16-18-54-19-17-45;1-6-25-20-38(25,35(49)44-57(50,51)56-37(4)12-13-37)21-31(46)30-18-27(54-33-28-8-7-26(52-5)17-24(28)9-14-43-33)22-45(30)34(48)29(23-10-15-53-16-11-23)19-32(47)55-36(2,3)39(40,41)42;1-35(2,3)28(19-31(44)51-36(4,5)6)33(45)42-22-26(50-32-27-10-9-25(49-8)17-23(27)12-16-40-32)18-29(42)30(43)21-38(20-24(38)11-15-39)34(46)41-53(47,48)52-37(7)13-14-37;1-6-20-16-34(20,32(49)44-56(50,51)55-21-7-8-21)17-27(46)26-14-23(53-30-24-10-9-22(52-5)13-19(24)11-12-43-30)18-45(26)31(48)25(15-28(47)54-33(2,3)4)29(35(37,38)39)36(40,41)42/h10-12,15,20,28,30,32-33H,9,13-14,16-19,21-26H2,1-8H3,(H,44,50);7-9,14,17,23,25,27,29-30H,6,10-13,15-16,18-22H2,1-5H3,(H,44,49);9-10,12,16-17,24,26,28-29H,11,13-14,18-22H2,1-8H3,(H,41,46);9-13,20-21,23,25-26,29H,6-8,14-18H2,1-5H3,(H,44,49)/t;25-,27?,29+,30+,38-;24-,26-,28-,29+,38-;20-,23?,25+,26+,34-/m.111/s1.

What are the key properties of tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;(2-methyl-1-morpholin-4-ylpropan-2-yl) 3-[2-[2-[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-4-[(2S)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3-(oxan-4-yl)-4-oxobutanoate?

tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;(2-methyl-1-morpholin-4-ylpropan-2-yl) 3-[2-[2-[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-4-[(2S)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3-(oxan-4-yl)-4-oxobutanoate has a molecular weight of 3233.63 g/mol, XLogP of 20.21, 62 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;(2-methyl-1-morpholin-4-ylpropan-2-yl) 3-[2-[2-[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;(1,1,1-trifluoro-2-methylpropan-2-yl) (3S)-4-[(2S)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3-(oxan-4-yl)-4-oxobutanoate is sourced from PubChem (CID 158819499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).