(2S,4R)-4-(1,3-benzothiazol-2-yloxy)-1-[(2S)-3,3-dimethyl-2-(3-methylanilino)butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3,3-dimethylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-4-[6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)isoquinolin-1-yl]oxypyrrolidine-2-carboxamide;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[(2S)-2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-4-(1-ethylbenzimidazol-2-yl)oxy-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;methane

C153H191ClF7N23O27S6 — CID 158283683

About (2S,4R)-4-(1,3-benzothiazol-2-yloxy)-1-[(2S)-3,3-dimethyl-2-(3-methylanilino)butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3,3-dimethylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-4-[6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)isoquinolin-1-yl]oxypyrrolidine-2-carboxamide;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[(2S)-2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-4-(1-ethylbenzimidazol-2-yl)oxy-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;methane

(2S,4R)-4-(1,3-benzothiazol-2-yloxy)-1-[(2S)-3,3-dimethyl-2-(3-methylanilino)butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3,3-dimethylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-4-[6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)isoquinolin-1-yl]oxypyrrolidine-2-carboxamide;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[(2S)-2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-4-(1-ethylbenzimidazol-2-yl)oxy-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;methane (PubChem CID 158283683) has the molecular formula C153H191ClF7N23O27S6 and a molecular weight of 3145.19 g/mol. Its IUPAC name is (2S,4R)-4-(1,3-benzothiazol-2-yloxy)-1-[(2S)-3,3-dimethyl-2-(3-methylanilino)butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3,3-dimethylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-4-[6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)isoquinolin-1-yl]oxypyrrolidine-2-carboxamide;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[(2S)-2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-4-(1-ethylbenzimidazol-2-yl)oxy-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;methane.

Molecular Properties

• Compound Name: (2S,4R)-4-(1,3-benzothiazol-2-yloxy)-1-[(2S)-3,3-dimethyl-2-(3-methylanilino)butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3,3-dimethylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-4-[6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)isoquinolin-1-yl]oxypyrrolidine-2-carboxamide;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[(2S)-2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-4-(1-ethylbenzimidazol-2-yl)oxy-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;methane
• PubChem CID: 158283683
• Molecular Formula: C153H191ClF7N23O27S6
• Molecular Weight: 3145.19 g/mol
• Exact Mass: 3142.22
• IUPAC Name: (2S,4R)-4-(1,3-benzothiazol-2-yloxy)-1-[(2S)-3,3-dimethyl-2-(3-methylanilino)butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3,3-dimethylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-4-[6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)isoquinolin-1-yl]oxypyrrolidine-2-carboxamide;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[(2S)-2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-4-(1-ethylbenzimidazol-2-yl)oxy-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;methane
• SMILES: C.CC[C@@H]1CC1(NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1C(=O)[C@@H](Nc1cc(F)cc(C(F)(F)F)c1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nc(-c3nc(C(C)C)cs3)cc3c(C)c(OC)ccc23)CN1C(=O)[C@@H](Nc1nc2ccccc2o1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nc3ccccc3n2CC)CN1C(=O)[C@@H](Nc1cccc(C(F)(F)F)c1)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nc3ccccc3s2)CN1C(=O)[C@@H](Nc1cccc(C)c1)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1
• InChI: InChI=1S/C44H53N7O8S2.C37H47F3N6O6S.C36H42ClF4N5O7S.C35H45N5O6S2.CH4/c1-9-25-20-44(25,41(54)50-61(55,56)27-14-15-27)49-37(52)33-18-26(21-51(33)40(53)36(43(5,6)7)48-42-47-30-12-10-11-13-35(30)59-42)58-38-28-16-17-34(57-8)24(4)29(28)19-31(45-38)39-46-32(22-60-39)23(2)3;1-7-22-20-36(22,32(49)44-53(50,51)35(6)16-17-35)43-30(47)28-19-25(52-33-42-26-14-9-10-15-27(26)45(33)8-2)21-46(28)31(48)29(34(3,4)5)41-24-13-11-12-23(18-24)37(38,39)40;1-5-20-15-35(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;1-7-22-19-35(22,31(43)39-48(44,45)34(6)15-16-34)38-29(41)26-18-24(46-32-37-25-13-8-9-14-27(25)47-32)20-40(26)30(42)28(33(3,4)5)36-23-12-10-11-21(2)17-23;/h10-13,16-17,19,22-23,25-27,33,36H,9,14-15,18,20-21H2,1-8H3,(H,47,48)(H,49,52)(H,50,54);9-15,18,22,25,28-29,41H,7-8,16-17,19-21H2,1-6H3,(H,43,47)(H,44,49);6-8,11-13,20,24-25,28-29,42H,5,9-10,14-18H2,1-4H3,(H,43,47)(H,44,49);8-14,17,22,24,26,28,36H,7,15-16,18-20H2,1-6H3,(H,38,41)(H,39,43);1H4/t25-,26-,33+,36-,44-;22-,25-,28+,29-,36-;20-,24-,28+,29-,35?;22-,24-,26+,28-,35-;/m1111./s1
• InChIKey: GKMXAKPPNSLXQM-DMCHVSJJSA-N
• XLogP: 22.68
• TPSA: 647.70 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 47
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3145.19
LogP ≤ 5	22.68
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(1,3-benzothiazol-2-yloxy)-1-[(2S)-3,3-dimethyl-2-(3-methylanilino)butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3,3-dimethylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-4-[6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)isoquinolin-1-yl]oxypyrrolidine-2-carboxamide;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[(2S)-2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-4-(1-ethylbenzimidazol-2-yl)oxy-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;methane?

The IUPAC name of (2S,4R)-4-(1,3-benzothiazol-2-yloxy)-1-[(2S)-3,3-dimethyl-2-(3-methylanilino)butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3,3-dimethylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-4-[6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)isoquinolin-1-yl]oxypyrrolidine-2-carboxamide;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[(2S)-2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-4-(1-ethylbenzimidazol-2-yl)oxy-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;methane (CID 158283683) is (2S,4R)-4-(1,3-benzothiazol-2-yloxy)-1-[(2S)-3,3-dimethyl-2-(3-methylanilino)butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3,3-dimethylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-4-[6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)isoquinolin-1-yl]oxypyrrolidine-2-carboxamide;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[(2S)-2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-4-(1-ethylbenzimidazol-2-yl)oxy-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;methane.

What is the SMILES notation for (2S,4R)-4-(1,3-benzothiazol-2-yloxy)-1-[(2S)-3,3-dimethyl-2-(3-methylanilino)butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3,3-dimethylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-4-[6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)isoquinolin-1-yl]oxypyrrolidine-2-carboxamide;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[(2S)-2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-4-(1-ethylbenzimidazol-2-yl)oxy-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;methane?

The canonical SMILES for (2S,4R)-4-(1,3-benzothiazol-2-yloxy)-1-[(2S)-3,3-dimethyl-2-(3-methylanilino)butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3,3-dimethylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-4-[6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)isoquinolin-1-yl]oxypyrrolidine-2-carboxamide;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[(2S)-2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-4-(1-ethylbenzimidazol-2-yl)oxy-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;methane is C.CC[C@@H]1CC1(NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1C(=O)[C@@H](Nc1cc(F)cc(C(F)(F)F)c1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nc(-c3nc(C(C)C)cs3)cc3c(C)c(OC)ccc23)CN1C(=O)[C@@H](Nc1nc2ccccc2o1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nc3ccccc3n2CC)CN1C(=O)[C@@H](Nc1cccc(C(F)(F)F)c1)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nc3ccccc3s2)CN1C(=O)[C@@H](Nc1cccc(C)c1)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1.

What is the InChIKey of (2S,4R)-4-(1,3-benzothiazol-2-yloxy)-1-[(2S)-3,3-dimethyl-2-(3-methylanilino)butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3,3-dimethylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-4-[6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)isoquinolin-1-yl]oxypyrrolidine-2-carboxamide;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[(2S)-2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-4-(1-ethylbenzimidazol-2-yl)oxy-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;methane?

The InChIKey is GKMXAKPPNSLXQM-DMCHVSJJSA-N. The full InChI is InChI=1S/C44H53N7O8S2.C37H47F3N6O6S.C36H42ClF4N5O7S.C35H45N5O6S2.CH4/c1-9-25-20-44(25,41(54)50-61(55,56)27-14-15-27)49-37(52)33-18-26(21-51(33)40(53)36(43(5,6)7)48-42-47-30-12-10-11-13-35(30)59-42)58-38-28-16-17-34(57-8)24(4)29(28)19-31(45-38)39-46-32(22-60-39)23(2)3;1-7-22-20-36(22,32(49)44-53(50,51)35(6)16-17-35)43-30(47)28-19-25(52-33-42-26-14-9-10-15-27(26)45(33)8-2)21-46(28)31(48)29(34(3,4)5)41-24-13-11-12-23(18-24)37(38,39)40;1-5-20-15-35(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;1-7-22-19-35(22,31(43)39-48(44,45)34(6)15-16-34)38-29(41)26-18-24(46-32-37-25-13-8-9-14-27(25)47-32)20-40(26)30(42)28(33(3,4)5)36-23-12-10-11-21(2)17-23;/h10-13,16-17,19,22-23,25-27,33,36H,9,14-15,18,20-21H2,1-8H3,(H,47,48)(H,49,52)(H,50,54);9-15,18,22,25,28-29,41H,7-8,16-17,19-21H2,1-6H3,(H,43,47)(H,44,49);6-8,11-13,20,24-25,28-29,42H,5,9-10,14-18H2,1-4H3,(H,43,47)(H,44,49);8-14,17,22,24,26,28,36H,7,15-16,18-20H2,1-6H3,(H,38,41)(H,39,43);1H4/t25-,26-,33+,36-,44-;22-,25-,28+,29-,36-;20-,24-,28+,29-,35?;22-,24-,26+,28-,35-;/m1111./s1.

What are the key properties of (2S,4R)-4-(1,3-benzothiazol-2-yloxy)-1-[(2S)-3,3-dimethyl-2-(3-methylanilino)butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3,3-dimethylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-4-[6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)isoquinolin-1-yl]oxypyrrolidine-2-carboxamide;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[(2S)-2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-4-(1-ethylbenzimidazol-2-yl)oxy-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;methane?

(2S,4R)-4-(1,3-benzothiazol-2-yloxy)-1-[(2S)-3,3-dimethyl-2-(3-methylanilino)butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3,3-dimethylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-4-[6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)isoquinolin-1-yl]oxypyrrolidine-2-carboxamide;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[(2S)-2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-4-(1-ethylbenzimidazol-2-yl)oxy-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;methane has a molecular weight of 3145.19 g/mol, XLogP of 22.68, 47 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-4-(1,3-benzothiazol-2-yloxy)-1-[(2S)-3,3-dimethyl-2-(3-methylanilino)butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3,3-dimethylbutanoyl]-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-4-[6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)isoquinolin-1-yl]oxypyrrolidine-2-carboxamide;[(3R,5S)-5-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-1-[(2S)-2-[3-fluoro-5-(trifluoromethyl)anilino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 4-chloro-1,3-dihydroisoindole-2-carboxylate;(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-4-(1-ethylbenzimidazol-2-yl)oxy-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide;methane is sourced from PubChem (CID 158283683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).