tert-butyl N-[(1R)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[1-[2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-4-(2-ethoxy-7-methoxy-8-methylquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C149H201F7N20O41S4 — CID 158879044

About tert-butyl N-[(1R)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[1-[2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-4-(2-ethoxy-7-methoxy-8-methylquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(1R)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[1-[2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-4-(2-ethoxy-7-methoxy-8-methylquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 158879044) has the molecular formula C149H201F7N20O41S4 and a molecular weight of 3189.60 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[1-[2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-4-(2-ethoxy-7-methoxy-8-methylquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1R)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[1-[2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-4-(2-ethoxy-7-methoxy-8-methylquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 158879044
• Molecular Formula: C149H201F7N20O41S4
• Molecular Weight: 3189.60 g/mol
• Exact Mass: 3187.30
• IUPAC Name: tert-butyl N-[(1R)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[1-[2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-4-(2-ethoxy-7-methoxy-8-methylquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• SMILES: CCC1C[C@]1(NC(=O)C1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)C(NC(=O)OC1(C)CC1)C(C)(C)C)C(=O)NS(=O)(=O)OC1(C)CC1.CCOc1cc(O[C@@H]2C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)OC4(C)CC4)C[C@H]3CC)N(C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)C(C)(C)C)C2)c2ccc(OC)c(C)c2n1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1)C(=O)NS(=O)(=O)OC1CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1)C(=O)NS(=O)(=O)OC1CC1
• InChI: InChI=1S/C39H54F3N5O11S.2C37H49F2N5O10S.C36H49N5O10S/c1-11-22-19-38(22,33(50)46-59(52,53)58-37(9)15-16-37)45-31(48)25-17-23(56-27-18-28(55-12-2)43-29-21(3)26(54-10)14-13-24(27)29)20-47(25)32(49)30(35(4,5)6)44-34(51)57-36(7,8)39(40,41)42;2*1-6-23-19-37(23,33(47)43-55(49,50)54-24-7-8-24)42-30(45)28-18-26(52-31-27-10-9-25(51-5)17-22(27)13-16-40-31)20-44(28)32(46)29(41-34(48)53-35(2,3)4)21-11-14-36(38,39)15-12-21;1-8-22-19-36(22,31(44)40-52(46,47)51-35(6)14-15-35)39-28(42)26-18-24(49-29-25-10-9-23(48-7)17-21(25)11-16-37-29)20-41(26)30(43)27(33(2,3)4)38-32(45)50-34(5)12-13-34/h13-14,18,22-23,25,30H,11-12,15-17,19-20H2,1-10H3,(H,44,51)(H,45,48)(H,46,50);2*9-10,13,16-17,21,23-24,26,28-29H,6-8,11-12,14-15,18-20H2,1-5H3,(H,41,48)(H,42,45)(H,43,47);9-11,16-17,22,24,26-27H,8,12-15,18-20H2,1-7H3,(H,38,45)(H,39,42)(H,40,44)/t22-,23-,25+,30-,38-;23-,26-,28+,29+,37-;23-,26-,28+,29-,37-;22?,24?,26?,27?,36-/m1111/s1
• InChIKey: JCUOJPJOSDEOFT-UMXGPCBUSA-N
• XLogP: 16.77
• TPSA: 775.47 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 45
• Rotatable Bonds: 54
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3189.60
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[1-[2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-4-(2-ethoxy-7-methoxy-8-methylquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(1R)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[1-[2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-4-(2-ethoxy-7-methoxy-8-methylquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 158879044) is tert-butyl N-[(1R)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[1-[2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-4-(2-ethoxy-7-methoxy-8-methylquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(1R)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[1-[2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-4-(2-ethoxy-7-methoxy-8-methylquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(1R)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[1-[2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-4-(2-ethoxy-7-methoxy-8-methylquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is CCC1C[C@]1(NC(=O)C1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)C(NC(=O)OC1(C)CC1)C(C)(C)C)C(=O)NS(=O)(=O)OC1(C)CC1.CCOc1cc(O[C@@H]2C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)OC4(C)CC4)C[C@H]3CC)N(C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)C(C)(C)C)C2)c2ccc(OC)c(C)c2n1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1)C(=O)NS(=O)(=O)OC1CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1)C(=O)NS(=O)(=O)OC1CC1.

What is the InChIKey of tert-butyl N-[(1R)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[1-[2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-4-(2-ethoxy-7-methoxy-8-methylquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The InChIKey is JCUOJPJOSDEOFT-UMXGPCBUSA-N. The full InChI is InChI=1S/C39H54F3N5O11S.2C37H49F2N5O10S.C36H49N5O10S/c1-11-22-19-38(22,33(50)46-59(52,53)58-37(9)15-16-37)45-31(48)25-17-23(56-27-18-28(55-12-2)43-29-21(3)26(54-10)14-13-24(27)29)20-47(25)32(49)30(35(4,5)6)44-34(51)57-36(7,8)39(40,41)42;2*1-6-23-19-37(23,33(47)43-55(49,50)54-24-7-8-24)42-30(45)28-18-26(52-31-27-10-9-25(51-5)17-22(27)13-16-40-31)20-44(28)32(46)29(41-34(48)53-35(2,3)4)21-11-14-36(38,39)15-12-21;1-8-22-19-36(22,31(44)40-52(46,47)51-35(6)14-15-35)39-28(42)26-18-24(49-29-25-10-9-23(48-7)17-21(25)11-16-37-29)20-41(26)30(43)27(33(2,3)4)38-32(45)50-34(5)12-13-34/h13-14,18,22-23,25,30H,11-12,15-17,19-20H2,1-10H3,(H,44,51)(H,45,48)(H,46,50);2*9-10,13,16-17,21,23-24,26,28-29H,6-8,11-12,14-15,18-20H2,1-5H3,(H,41,48)(H,42,45)(H,43,47);9-11,16-17,22,24,26-27H,8,12-15,18-20H2,1-7H3,(H,38,45)(H,39,42)(H,40,44)/t22-,23-,25+,30-,38-;23-,26-,28+,29+,37-;23-,26-,28+,29-,37-;22?,24?,26?,27?,36-/m1111/s1.

What are the key properties of tert-butyl N-[(1R)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[1-[2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-4-(2-ethoxy-7-methoxy-8-methylquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

tert-butyl N-[(1R)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[1-[2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-4-(2-ethoxy-7-methoxy-8-methylquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 3189.60 g/mol, XLogP of 16.77, 54 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1R)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[1-[2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-4-(2-ethoxy-7-methoxy-8-methylquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 158879044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).