tert-butyl N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate

C154H210F3N19O39S4 — CID 158103280

About tert-butyl N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate

tert-butyl N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 158103280) has the molecular formula C154H210F3N19O39S4 and a molecular weight of 3136.73 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate
• PubChem CID: 158103280
• Molecular Formula: C154H210F3N19O39S4
• Molecular Weight: 3136.73 g/mol
• Exact Mass: 3134.39
• IUPAC Name: tert-butyl N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate
• SMILES: CCCC1(OS(=O)(=O)NC(=O)[C@@]2(NC(=O)[C@@H]3C[C@@H](Oc4nccc5cc(OC)ccc45)CN3C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C[C@H]2CC)CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)C(=O)NS(=O)(=O)OC1(C)CC1.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(F)(F)F)C1CCCCC1)C(=O)NS(=O)(=O)OC1(C)CC1.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)OC6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)N4C3)nccc2c1
• InChI: InChI=1S/C39H55N5O10S.C39H51N3O10S.C38H50F3N5O10S.C38H54N6O9S/c1-7-16-38(17-18-38)54-55(49,50)43-35(47)39(22-26(39)8-2)42-32(45)30-21-28(52-33-29-14-13-27(51-6)20-25(29)15-19-40-33)23-44(30)34(46)31(24-11-9-10-12-24)41-36(48)53-37(3,4)5;1-37(2,3)51-33(44)20-26-11-9-7-6-8-10-12-27-22-39(27,36(46)41-53(47,48)52-38(4)16-17-38)23-32(43)31-21-29(24-42(31)35(26)45)50-34-30-14-13-28(49-5)19-25(30)15-18-40-34;1-6-24-20-37(24,33(49)45-57(51,52)56-36(4)15-16-36)44-30(47)28-19-26(54-31-27-13-12-25(53-5)18-23(27)14-17-42-31)21-46(28)32(48)29(22-10-8-7-9-11-22)43-34(50)55-35(2,3)38(39,40)41;1-7-25-21-38(25,34(47)43-54(49,50)53-37(5)16-17-37)41-31(45)29-20-27(52-32-28-14-13-26(51-6)19-24(28)15-18-39-32)22-44(29)33(46)30(23-11-9-8-10-12-23)40-35(48)42-36(2,3)4/h13-15,19-20,24,26,28,30-31H,7-12,16-18,21-23H2,1-6H3,(H,41,48)(H,42,45)(H,43,47);10,12-15,18-19,26-27,29,31H,6-9,11,16-17,20-24H2,1-5H3,(H,41,46);12-14,17-18,22,24,26,28-29H,6-11,15-16,19-21H2,1-5H3,(H,43,50)(H,44,47)(H,45,49);13-15,18-19,23,25,27,29-30H,7-12,16-17,20-22H2,1-6H3,(H,41,45)(H,43,47)(H2,40,42,48)/b;12-10-;;/t26-,28-,30+,31+,39-;26-,27-,29-,31+,39-;24-,26-,28+,29+,37-;25-,27-,29+,30+,38-/m1111/s1
• InChIKey: FPNJYDKBDCZWCO-MROSKSCOSA-N
• XLogP: 18.70
• TPSA: 744.98 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 43
• Rotatable Bonds: 51
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3136.73
LogP ≤ 5	18.70
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	43

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 N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate?

The IUPAC name of tert-butyl N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate (CID 158103280) is tert-butyl N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate.

What is the SMILES notation for tert-butyl N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate?

The canonical SMILES for tert-butyl N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate is CCCC1(OS(=O)(=O)NC(=O)[C@@]2(NC(=O)[C@@H]3C[C@@H](Oc4nccc5cc(OC)ccc45)CN3C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C[C@H]2CC)CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)C(=O)NS(=O)(=O)OC1(C)CC1.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(F)(F)F)C1CCCCC1)C(=O)NS(=O)(=O)OC1(C)CC1.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)OC6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)N4C3)nccc2c1.

What is the InChIKey of tert-butyl N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate?

The InChIKey is FPNJYDKBDCZWCO-MROSKSCOSA-N. The full InChI is InChI=1S/C39H55N5O10S.C39H51N3O10S.C38H50F3N5O10S.C38H54N6O9S/c1-7-16-38(17-18-38)54-55(49,50)43-35(47)39(22-26(39)8-2)42-32(45)30-21-28(52-33-29-14-13-27(51-6)20-25(29)15-19-40-33)23-44(30)34(46)31(24-11-9-10-12-24)41-36(48)53-37(3,4)5;1-37(2,3)51-33(44)20-26-11-9-7-6-8-10-12-27-22-39(27,36(46)41-53(47,48)52-38(4)16-17-38)23-32(43)31-21-29(24-42(31)35(26)45)50-34-30-14-13-28(49-5)19-25(30)15-18-40-34;1-6-24-20-37(24,33(49)45-57(51,52)56-36(4)15-16-36)44-30(47)28-19-26(54-31-27-13-12-25(53-5)18-23(27)14-17-42-31)21-46(28)32(48)29(22-10-8-7-9-11-22)43-34(50)55-35(2,3)38(39,40)41;1-7-25-21-38(25,34(47)43-54(49,50)53-37(5)16-17-37)41-31(45)29-20-27(52-32-28-14-13-26(51-6)19-24(28)15-18-39-32)22-44(29)33(46)30(23-11-9-8-10-12-23)40-35(48)42-36(2,3)4/h13-15,19-20,24,26,28,30-31H,7-12,16-18,21-23H2,1-6H3,(H,41,48)(H,42,45)(H,43,47);10,12-15,18-19,26-27,29,31H,6-9,11,16-17,20-24H2,1-5H3,(H,41,46);12-14,17-18,22,24,26,28-29H,6-11,15-16,19-21H2,1-5H3,(H,43,50)(H,44,47)(H,45,49);13-15,18-19,23,25,27,29-30H,7-12,16-17,20-22H2,1-6H3,(H,41,45)(H,43,47)(H2,40,42,48)/b;12-10-;;/t26-,28-,30+,31+,39-;26-,27-,29-,31+,39-;24-,26-,28+,29+,37-;25-,27-,29+,30+,38-/m1111/s1.

What are the key properties of tert-butyl N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate?

tert-butyl N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 3136.73 g/mol, XLogP of 18.70, 51 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 158103280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).