(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-cyclopentyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-ethyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide

C159H240F6N18O26S3 — CID 160692861

About (2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-cyclopentyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-ethyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide

(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-cyclopentyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-ethyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide (PubChem CID 160692861) has the molecular formula C159H240F6N18O26S3 and a molecular weight of 3029.96 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-cyclopentyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-ethyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-cyclopentyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-ethyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide
• PubChem CID: 160692861
• Molecular Formula: C159H240F6N18O26S3
• Molecular Weight: 3029.96 g/mol
• Exact Mass: 3027.71
• IUPAC Name: (2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-cyclopentyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-ethyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide
• SMILES: CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(C)c(F)c1)CN2C1CCCC1)C(C)(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(C)c(F)c1)CN2C1CCOCC1)C(C)(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(C)c(F)c1)CN2CC)C(C)(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(C)c(F)c1)CN2S(C)(=O)=O)C(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(C)c(F)c1)CN2S(C)(=O)=O)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(C)c(F)c1)CN2S(C)(=O)=O)[C@@H](C)OC
• InChI: InChI=1S/C29H44FN3O4.C29H44FN3O3.C27H40FN3O5S.C26H40FN3O3.C24H36FN3O6S.C24H36FN3O5S/c1-7-18(2)27(34)31-26(29(4,5)6)28(35)32-13-10-23-25(32)24(17-33(23)20-11-14-36-15-12-20)37-21-9-8-19(3)22(30)16-21;1-7-18(2)27(34)31-26(29(4,5)6)28(35)32-15-14-23-25(32)24(17-33(23)20-10-8-9-11-20)36-21-13-12-19(3)22(30)16-21;1-5-17(2)26(32)29-24(19-9-7-6-8-10-19)27(33)30-14-13-22-25(30)23(16-31(22)37(4,34)35)36-20-12-11-18(3)21(28)15-20;1-8-16(3)24(31)28-23(26(5,6)7)25(32)30-13-12-20-22(30)21(15-29(20)9-2)33-18-11-10-17(4)19(27)14-18;1-7-14(2)23(29)26-21(16(4)33-5)24(30)27-11-10-19-22(27)20(13-28(19)35(6,31)32)34-17-9-8-15(3)18(25)12-17;1-7-15(4)23(29)26-21(14(2)3)24(30)27-11-10-19-22(27)20(13-28(19)34(6,31)32)33-17-9-8-16(5)18(25)12-17/h8-9,16,18,20,23-26H,7,10-15,17H2,1-6H3,(H,31,34);12-13,16,18,20,23-26H,7-11,14-15,17H2,1-6H3,(H,31,34);11-12,15,17,19,22-25H,5-10,13-14,16H2,1-4H3,(H,29,32);10-11,14,16,20-23H,8-9,12-13,15H2,1-7H3,(H,28,31);8-9,12,14,16,19-22H,7,10-11,13H2,1-6H3,(H,26,29);8-9,12,14-15,19-22H,7,10-11,13H2,1-6H3,(H,26,29)/t2*18-,23-,24+,25+,26-;17-,22-,23+,24+,25+;16-,20-,21+,22+,23-;14-,16-,19-,20+,21+,22+;15-,19-,20+,21+,22+/m111111/s1
• InChIKey: RPQAGYYYCVHGSM-ZXYCDSEKSA-N
• XLogP: 19.61
• TPSA: 492.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 46
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3029.96
LogP ≤ 5	19.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-cyclopentyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-ethyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide?

The IUPAC name of (2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-cyclopentyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-ethyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide (CID 160692861) is (2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-cyclopentyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-ethyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide.

What is the SMILES notation for (2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-cyclopentyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-ethyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide?

The canonical SMILES for (2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-cyclopentyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-ethyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(C)c(F)c1)CN2C1CCCC1)C(C)(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(C)c(F)c1)CN2C1CCOCC1)C(C)(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(C)c(F)c1)CN2CC)C(C)(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(C)c(F)c1)CN2S(C)(=O)=O)C(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(C)c(F)c1)CN2S(C)(=O)=O)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(C)c(F)c1)CN2S(C)(=O)=O)[C@@H](C)OC.

What is the InChIKey of (2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-cyclopentyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-ethyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide?

The InChIKey is RPQAGYYYCVHGSM-ZXYCDSEKSA-N. The full InChI is InChI=1S/C29H44FN3O4.C29H44FN3O3.C27H40FN3O5S.C26H40FN3O3.C24H36FN3O6S.C24H36FN3O5S/c1-7-18(2)27(34)31-26(29(4,5)6)28(35)32-13-10-23-25(32)24(17-33(23)20-11-14-36-15-12-20)37-21-9-8-19(3)22(30)16-21;1-7-18(2)27(34)31-26(29(4,5)6)28(35)32-15-14-23-25(32)24(17-33(23)20-10-8-9-11-20)36-21-13-12-19(3)22(30)16-21;1-5-17(2)26(32)29-24(19-9-7-6-8-10-19)27(33)30-14-13-22-25(30)23(16-31(22)37(4,34)35)36-20-12-11-18(3)21(28)15-20;1-8-16(3)24(31)28-23(26(5,6)7)25(32)30-13-12-20-22(30)21(15-29(20)9-2)33-18-11-10-17(4)19(27)14-18;1-7-14(2)23(29)26-21(16(4)33-5)24(30)27-11-10-19-22(27)20(13-28(19)35(6,31)32)34-17-9-8-15(3)18(25)12-17;1-7-15(4)23(29)26-21(14(2)3)24(30)27-11-10-19-22(27)20(13-28(19)34(6,31)32)33-17-9-8-16(5)18(25)12-17/h8-9,16,18,20,23-26H,7,10-15,17H2,1-6H3,(H,31,34);12-13,16,18,20,23-26H,7-11,14-15,17H2,1-6H3,(H,31,34);11-12,15,17,19,22-25H,5-10,13-14,16H2,1-4H3,(H,29,32);10-11,14,16,20-23H,8-9,12-13,15H2,1-7H3,(H,28,31);8-9,12,14,16,19-22H,7,10-11,13H2,1-6H3,(H,26,29);8-9,12,14-15,19-22H,7,10-11,13H2,1-6H3,(H,26,29)/t2*18-,23-,24+,25+,26-;17-,22-,23+,24+,25+;16-,20-,21+,22+,23-;14-,16-,19-,20+,21+,22+;15-,19-,20+,21+,22+/m111111/s1.

What are the key properties of (2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-cyclopentyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-ethyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide?

(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-cyclopentyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-ethyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide has a molecular weight of 3029.96 g/mol, XLogP of 19.61, 46 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-cyclopentyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-4-ethyl-6-(3-fluoro-4-methylphenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S,3R)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-(3-fluoro-4-methylphenoxy)-4-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide is sourced from PubChem (CID 160692861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).