(2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

C188H249B3Br4ClF3N12O32S — CID 157368351

About (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

(2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (PubChem CID 157368351) has the molecular formula C188H249B3Br4ClF3N12O32S and a molecular weight of 3665.68 g/mol. Its IUPAC name is (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

Molecular Properties

• Compound Name: (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
• PubChem CID: 157368351
• Molecular Formula: C188H249B3Br4ClF3N12O32S
• Molecular Weight: 3665.68 g/mol
• Exact Mass: 3659.46
• IUPAC Name: (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
• SMILES: CC(=O)O.CC(C)(C)OC(=O)N1C(C2=NC=C(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C2)C[C@@H]2CCC[C@@H]21.CC(C)(C)OC(=O)N1C(C2=NC=C(c3ccc(Br)cc3)C2)C[C@@H]2CCC[C@@H]21.CC(C)(C)OC(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOC(C)=O.COC(=O)C[C@H](C(=O)O)[C@@H](C)OC.Cc1ccc(-c2ccc(-c3cnc([C@@H]4C[C@@H]5CCC[C@@H]5N4)[nH]3)cc2)c2c1C1CCC2C1.Cc1ccc(-c2ccc(-c3cnc([C@@H]4C[C@@H]5CCC[C@@H]5N4C(=O)OC(C)(C)C)[nH]3)cc2)c2c1C1CCC2C1.Cc1ccc(OS(=O)(=O)C(F)(F)F)c2c1C1CCC2C1.Cl.N.O=C(CBr)c1ccc(Br)cc1.O=C(COC(=O)C1C[C@H]2CCC[C@H]2C1)c1ccc(Br)cc1
• InChI: InChI=1S/C33H39N3O2.C28H39BN2O4.C28H31N3.C22H27BrN2O2.C17H19BrO3.C13H13F3O3S.C13H21NO4.C12H24B2O4.C8H6Br2O.C8H14O5.C4H8O2.C2H4O2.ClH.H3N/c1-19-8-15-25(30-24-14-13-23(16-24)29(19)30)20-9-11-21(12-10-20)26-18-34-31(35-26)28-17-22-6-5-7-27(22)36(28)32(37)38-33(2,3)4;1-26(2,3)33-25(32)31-23-10-8-9-19(23)16-24(31)22-15-20(17-30-22)18-11-13-21(14-12-18)29-34-27(4,5)28(6,7)35-29;1-16-5-12-22(27-21-11-10-20(13-21)26(16)27)17-6-8-18(9-7-17)25-15-29-28(31-25)24-14-19-3-2-4-23(19)30-24;1-22(2,3)27-21(26)25-19-6-4-5-15(19)12-20(25)18-11-16(13-24-18)14-7-9-17(23)10-8-14;18-15-6-4-11(5-7-15)16(19)10-21-17(20)14-8-12-2-1-3-13(12)9-14;1-7-2-5-10(19-20(17,18)13(14,15)16)12-9-4-3-8(6-9)11(7)12;1-13(2,3)18-12(17)14-9-6-4-5-8(9)7-10(14)11(15)16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-5-8(11)6-1-3-7(10)4-2-6;1-5(12-2)6(8(10)11)4-7(9)13-3;1-3-6-4(2)5;1-2(3)4;;/h8-12,15,18,22-24,27-28H,5-7,13-14,16-17H2,1-4H3,(H,34,35);11-14,17,19,23-24H,8-10,15-16H2,1-7H3;5-9,12,15,19-21,23-24,30H,2-4,10-11,13-14H2,1H3,(H,29,31);7-10,13,15,19-20H,4-6,11-12H2,1-3H3;4-7,12-14H,1-3,8-10H2;2,5,8-9H,3-4,6H2,1H3;8-10H,4-7H2,1-3H3,(H,15,16);1-8H3;1-4H,5H2;5-6H,4H2,1-3H3,(H,10,11);3H2,1-2H3;1H3,(H,3,4);1H;1H3/t22-,23?,24?,27-,28-;19-,23-,24?;19-,20?,21?,23-,24-;15-,19-,20?;12-,13+,14?;;8-,9-,10-;;;5-,6+;;;;/m0000..0..1..../s1
• InChIKey: GJMIGYUDHONYIL-UZNAIDITSA-N
• XLogP: 42.69
• TPSA: 580.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3665.68
LogP ≤ 5	42.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The IUPAC name of (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (CID 157368351) is (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

What is the SMILES notation for (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The canonical SMILES for (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is CC(=O)O.CC(C)(C)OC(=O)N1C(C2=NC=C(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C2)C[C@@H]2CCC[C@@H]21.CC(C)(C)OC(=O)N1C(C2=NC=C(c3ccc(Br)cc3)C2)C[C@@H]2CCC[C@@H]21.CC(C)(C)OC(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOC(C)=O.COC(=O)C[C@H](C(=O)O)[C@@H](C)OC.Cc1ccc(-c2ccc(-c3cnc([C@@H]4C[C@@H]5CCC[C@@H]5N4)[nH]3)cc2)c2c1C1CCC2C1.Cc1ccc(-c2ccc(-c3cnc([C@@H]4C[C@@H]5CCC[C@@H]5N4C(=O)OC(C)(C)C)[nH]3)cc2)c2c1C1CCC2C1.Cc1ccc(OS(=O)(=O)C(F)(F)F)c2c1C1CCC2C1.Cl.N.O=C(CBr)c1ccc(Br)cc1.O=C(COC(=O)C1C[C@H]2CCC[C@H]2C1)c1ccc(Br)cc1.

What is the InChIKey of (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The InChIKey is GJMIGYUDHONYIL-UZNAIDITSA-N. The full InChI is InChI=1S/C33H39N3O2.C28H39BN2O4.C28H31N3.C22H27BrN2O2.C17H19BrO3.C13H13F3O3S.C13H21NO4.C12H24B2O4.C8H6Br2O.C8H14O5.C4H8O2.C2H4O2.ClH.H3N/c1-19-8-15-25(30-24-14-13-23(16-24)29(19)30)20-9-11-21(12-10-20)26-18-34-31(35-26)28-17-22-6-5-7-27(22)36(28)32(37)38-33(2,3)4;1-26(2,3)33-25(32)31-23-10-8-9-19(23)16-24(31)22-15-20(17-30-22)18-11-13-21(14-12-18)29-34-27(4,5)28(6,7)35-29;1-16-5-12-22(27-21-11-10-20(13-21)26(16)27)17-6-8-18(9-7-17)25-15-29-28(31-25)24-14-19-3-2-4-23(19)30-24;1-22(2,3)27-21(26)25-19-6-4-5-15(19)12-20(25)18-11-16(13-24-18)14-7-9-17(23)10-8-14;18-15-6-4-11(5-7-15)16(19)10-21-17(20)14-8-12-2-1-3-13(12)9-14;1-7-2-5-10(19-20(17,18)13(14,15)16)12-9-4-3-8(6-9)11(7)12;1-13(2,3)18-12(17)14-9-6-4-5-8(9)7-10(14)11(15)16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-5-8(11)6-1-3-7(10)4-2-6;1-5(12-2)6(8(10)11)4-7(9)13-3;1-3-6-4(2)5;1-2(3)4;;/h8-12,15,18,22-24,27-28H,5-7,13-14,16-17H2,1-4H3,(H,34,35);11-14,17,19,23-24H,8-10,15-16H2,1-7H3;5-9,12,15,19-21,23-24,30H,2-4,10-11,13-14H2,1H3,(H,29,31);7-10,13,15,19-20H,4-6,11-12H2,1-3H3;4-7,12-14H,1-3,8-10H2;2,5,8-9H,3-4,6H2,1H3;8-10H,4-7H2,1-3H3,(H,15,16);1-8H3;1-4H,5H2;5-6H,4H2,1-3H3,(H,10,11);3H2,1-2H3;1H3,(H,3,4);1H;1H3/t22-,23?,24?,27-,28-;19-,23-,24?;19-,20?,21?,23-,24-;15-,19-,20?;12-,13+,14?;;8-,9-,10-;;;5-,6+;;;;/m0000..0..1..../s1.

What are the key properties of (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

(2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride has a molecular weight of 3665.68 g/mol, XLogP of 42.69, 27 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is sourced from PubChem (CID 157368351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).