(2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;4-chloro-2,3-dihydro-1H-isoindole;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid;methane;[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate

C138H181Cl5F8N20O31S4 — CID 160935360

About (2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;4-chloro-2,3-dihydro-1H-isoindole;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid;methane;[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate

(2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;4-chloro-2,3-dihydro-1H-isoindole;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid;methane;[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate (PubChem CID 160935360) has the molecular formula C138H181Cl5F8N20O31S4 and a molecular weight of 3073.59 g/mol. Its IUPAC name is (2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;4-chloro-2,3-dihydro-1H-isoindole;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid;methane;[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: (2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;4-chloro-2,3-dihydro-1H-isoindole;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid;methane;[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate
• PubChem CID: 160935360
• Molecular Formula: C138H181Cl5F8N20O31S4
• Molecular Weight: 3073.59 g/mol
• Exact Mass: 3069.04
• IUPAC Name: (2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;4-chloro-2,3-dihydro-1H-isoindole;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid;methane;[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate
• SMILES: C.C.CC(C)(C)C(Nc1cc(F)cc(C(F)(F)F)c1)C(=O)O.CC[C@@H]1CC1(N)C(=O)NS(=O)(=O)C1CC1.CC[C@@H]1CC1(NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1)C(=O)NS(=O)(=O)C1CC1.CC[C@@H]1CC1(NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1C(=O)C(Nc1cc(F)cc(C(F)(F)F)c1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1.CC[C@@H]1CC1(NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1C)C(=O)NS(=O)(=O)C1CC1.COC(=O)[C@@H]1C[C@@H](O)CN1C.COC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1C.Clc1cccc2c1CNC2
• InChI: InChI=1S/C36H42ClF4N5O7S.C24H31ClN4O6S.C23H29ClN4O6S.C16H19ClN2O4.C13H15F4NO2.C9H16N2O3S.C8H8ClN.C7H13NO3.2CH4/c1-5-20-15-35(20,32(49)44-54(51,52)25-9-10-25)43-30(47)28-14-24(53-33(50)45-16-19-7-6-8-27(37)26(19)18-45)17-46(28)31(48)29(34(2,3)4)42-23-12-21(36(39,40)41)11-22(38)13-23;1-3-15-10-24(15,22(31)27-36(33,34)17-7-8-17)26-21(30)20-9-16(12-28(20)2)35-23(32)29-11-14-5-4-6-19(25)18(14)13-29;1-2-14-9-23(14,21(30)27-35(32,33)16-6-7-16)26-20(29)19-8-15(10-25-19)34-22(31)28-11-13-4-3-5-18(24)17(13)12-28;1-18-8-11(6-14(18)15(20)22-2)23-16(21)19-7-10-4-3-5-13(17)12(10)9-19;1-12(2,3)10(11(19)20)18-9-5-7(13(15,16)17)4-8(14)6-9;1-2-6-5-9(6,10)8(12)11-15(13,14)7-3-4-7;9-8-3-1-2-6-4-10-5-7(6)8;1-8-4-5(9)3-6(8)7(10)11-2;;/h6-8,11-13,20,24-25,28-29,42H,5,9-10,14-18H2,1-4H3,(H,43,47)(H,44,49);4-6,15-17,20H,3,7-13H2,1-2H3,(H,26,30)(H,27,31);3-5,14-16,19,25H,2,6-12H2,1H3,(H,26,29)(H,27,30);3-5,11,14H,6-9H2,1-2H3;4-6,10,18H,1-3H3,(H,19,20);6-7H,2-5,10H2,1H3,(H,11,12);1-3,10H,4-5H2;5-6,9H,3-4H2,1-2H3;2*1H4/t20-,24-,28+,29?,35?;15-,16-,20+,24?;14-,15-,19+,23?;11-,14+;;6-,9?;;5-,6+;;/m1111.1.1../s1
• InChIKey: STUOOJACPXGPGA-DWVOELRFSA-N
• XLogP: 16.47
• TPSA: 672.72 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3073.59
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;4-chloro-2,3-dihydro-1H-isoindole;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid;methane;[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate?

The IUPAC name of (2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;4-chloro-2,3-dihydro-1H-isoindole;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid;methane;[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate (CID 160935360) is (2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;4-chloro-2,3-dihydro-1H-isoindole;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid;methane;[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate.

What is the SMILES notation for (2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;4-chloro-2,3-dihydro-1H-isoindole;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid;methane;[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate?

The canonical SMILES for (2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;4-chloro-2,3-dihydro-1H-isoindole;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid;methane;[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate is C.C.CC(C)(C)C(Nc1cc(F)cc(C(F)(F)F)c1)C(=O)O.CC[C@@H]1CC1(N)C(=O)NS(=O)(=O)C1CC1.CC[C@@H]1CC1(NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1)C(=O)NS(=O)(=O)C1CC1.CC[C@@H]1CC1(NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1C(=O)C(Nc1cc(F)cc(C(F)(F)F)c1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1.CC[C@@H]1CC1(NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1C)C(=O)NS(=O)(=O)C1CC1.COC(=O)[C@@H]1C[C@@H](O)CN1C.COC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1C.Clc1cccc2c1CNC2.

What is the InChIKey of (2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;4-chloro-2,3-dihydro-1H-isoindole;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid;methane;[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate?

The InChIKey is STUOOJACPXGPGA-DWVOELRFSA-N. The full InChI is InChI=1S/C36H42ClF4N5O7S.C24H31ClN4O6S.C23H29ClN4O6S.C16H19ClN2O4.C13H15F4NO2.C9H16N2O3S.C8H8ClN.C7H13NO3.2CH4/c1-5-20-15-35(20,32(49)44-54(51,52)25-9-10-25)43-30(47)28-14-24(53-33(50)45-16-19-7-6-8-27(37)26(19)18-45)17-46(28)31(48)29(34(2,3)4)42-23-12-21(36(39,40)41)11-22(38)13-23;1-3-15-10-24(15,22(31)27-36(33,34)17-7-8-17)26-21(30)20-9-16(12-28(20)2)35-23(32)29-11-14-5-4-6-19(25)18(14)13-29;1-2-14-9-23(14,21(30)27-35(32,33)16-6-7-16)26-20(29)19-8-15(10-25-19)34-22(31)28-11-13-4-3-5-18(24)17(13)12-28;1-18-8-11(6-14(18)15(20)22-2)23-16(21)19-7-10-4-3-5-13(17)12(10)9-19;1-12(2,3)10(11(19)20)18-9-5-7(13(15,16)17)4-8(14)6-9;1-2-6-5-9(6,10)8(12)11-15(13,14)7-3-4-7;9-8-3-1-2-6-4-10-5-7(6)8;1-8-4-5(9)3-6(8)7(10)11-2;;/h6-8,11-13,20,24-25,28-29,42H,5,9-10,14-18H2,1-4H3,(H,43,47)(H,44,49);4-6,15-17,20H,3,7-13H2,1-2H3,(H,26,30)(H,27,31);3-5,14-16,19,25H,2,6-12H2,1H3,(H,26,29)(H,27,30);3-5,11,14H,6-9H2,1-2H3;4-6,10,18H,1-3H3,(H,19,20);6-7H,2-5,10H2,1H3,(H,11,12);1-3,10H,4-5H2;5-6,9H,3-4H2,1-2H3;2*1H4/t20-,24-,28+,29?,35?;15-,16-,20+,24?;14-,15-,19+,23?;11-,14+;;6-,9?;;5-,6+;;/m1111.1.1../s1.

What are the key properties of (2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;4-chloro-2,3-dihydro-1H-isoindole;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid;methane;[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate?

(2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;4-chloro-2,3-dihydro-1H-isoindole;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid;methane;[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate has a molecular weight of 3073.59 g/mol, XLogP of 16.47, 34 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-amino-N-cyclopropylsulfonyl-2-ethylcyclopropane-1-carboxamide;4-chloro-2,3-dihydro-1H-isoindole;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid;methane;[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 160935360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).