acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;(3S)-2-[(2S)-2-(carboxyamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-iodospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;methane;[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl] trifluoromethanesulfonate;methyl N-[(3S)-2-[(3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-methylpentan-3-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(3S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]pentanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C181H240B4Br4F6IN19O39S2 — CID 158757289

About acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;(3S)-2-[(2S)-2-(carboxyamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-iodospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;methane;[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl] trifluoromethanesulfonate;methyl N-[(3S)-2-[(3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-methylpentan-3-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(3S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]pentanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;(3S)-2-[(2S)-2-(carboxyamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-iodospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;methane;[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl] trifluoromethanesulfonate;methyl N-[(3S)-2-[(3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-methylpentan-3-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(3S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]pentanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158757289) has the molecular formula C181H240B4Br4F6IN19O39S2 and a molecular weight of 3973.89 g/mol. Its IUPAC name is acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;(3S)-2-[(2S)-2-(carboxyamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-iodospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;methane;[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl] trifluoromethanesulfonate;methyl N-[(3S)-2-[(3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-methylpentan-3-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(3S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]pentanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;(3S)-2-[(2S)-2-(carboxyamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-iodospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;methane;[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl] trifluoromethanesulfonate;methyl N-[(3S)-2-[(3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-methylpentan-3-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(3S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]pentanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158757289
• Molecular Formula: C181H240B4Br4F6IN19O39S2
• Molecular Weight: 3973.89 g/mol
• Exact Mass: 3968.29
• IUPAC Name: acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;(3S)-2-[(2S)-2-(carboxyamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-iodospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;methane;[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl] trifluoromethanesulfonate;methyl N-[(3S)-2-[(3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-methylpentan-3-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(3S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]pentanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C.CC(=O)O.CC(C)[C@H](NC(=O)O)C(=O)N1C2CC2C[C@H]1C(=O)O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)C[C@H](C(=O)N1C2CC2C[C@H]1C1=Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1)C(C)C.COC(=O)N[C@@H](C(C)C)C(C)N1C2CC2C[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1.COC(=O)N[C@H](C(=O)N1C(c2ncc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[nH]2)CC2CC21)C(C)C.COC(=O)N[C@H](C(=O)N1C2CC2C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1)C(C)C.COC(=O)N[C@H](C(=O)N1C2CC2C[C@H]1c1ncc(-c2ccc(-c3ccc(OS(=O)(=O)C(F)(F)F)c4c3CC3(CCCC3)C4)cc2)[nH]1)C(C)C.N.O=C(CBr)c1ccc(Br)cc1.O=S(=O)(Oc1ccc(I)c2c1CC1(CCCC1)C2)C(F)(F)F
• InChI: InChI=1S/C35H39F3N4O6S.C27H37BN4O5.C27H37BN2O5.C22H29BrN4O2.C21H25BrN2O6.C14H14F3IO3S.C12H24B2O4.C12H18N2O5.C8H6Br2O.C2H4O2.CH4.H3N/c1-19(2)30(41-33(44)47-3)32(43)42-27-14-22(27)15-28(42)31-39-18-26(40-31)21-8-6-20(7-9-21)23-10-11-29(48-49(45,46)35(36,37)38)25-17-34(16-24(23)25)12-4-5-13-34;1-15(2)22(31-25(34)35-7)24(33)32-20-12-17(20)13-21(32)23-29-14-19(30-23)16-8-10-18(11-9-16)28-36-26(3,4)27(5,6)37-28;1-15(2)19(14-24(31)33-7)25(32)30-22-12-17(22)13-23(30)21-11-16-10-18(8-9-20(16)29-21)28-34-26(3,4)27(5,6)35-28;1-12(2)20(26-22(28)29-4)13(3)27-18-9-15(18)10-19(27)21-24-11-17(25-21)14-5-7-16(23)8-6-14;1-11(2)18(23-21(28)29-3)19(26)24-15-8-13(15)9-16(24)20(27)30-10-17(25)12-4-6-14(22)7-5-12;15-14(16,17)22(19,20)21-12-4-3-11(18)9-7-13(8-10(9)12)5-1-2-6-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-5(2)9(13-12(18)19)10(15)14-7-3-6(7)4-8(14)11(16)17;9-5-8(11)6-1-3-7(10)4-2-6;1-2(3)4;;/h6-11,18-19,22,27-28,30H,4-5,12-17H2,1-3H3,(H,39,40)(H,41,44);8-11,14-15,17,20-22H,12-13H2,1-7H3,(H,29,30)(H,31,34);8-10,15,17,19,22-23H,11-14H2,1-7H3;5-8,11-13,15,18-20H,9-10H2,1-4H3,(H,24,25)(H,26,28);4-7,11,13,15-16,18H,8-10H2,1-3H3,(H,23,28);3-4H,1-2,5-8H2;1-8H3;5-9,13H,3-4H2,1-2H3,(H,16,17)(H,18,19);1-4H,5H2;1H3,(H,3,4);1H4;1H3/t22?,27?,28-,30-;17?,20?,21?,22-;17?,19-,22?,23-;13?,15?,18?,19-,20-;13?,15?,16-,18-;;;6?,7?,8-,9-;;;;/m00000..0..../s1
• InChIKey: XGPGSRPVGGGBCS-MFSBRNDCSA-N
• XLogP: 31.52
• TPSA: 762.76 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 42
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3973.89
LogP ≤ 5	31.52
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;(3S)-2-[(2S)-2-(carboxyamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-iodospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;methane;[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl] trifluoromethanesulfonate;methyl N-[(3S)-2-[(3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-methylpentan-3-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(3S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]pentanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;(3S)-2-[(2S)-2-(carboxyamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-iodospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;methane;[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl] trifluoromethanesulfonate;methyl N-[(3S)-2-[(3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-methylpentan-3-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(3S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]pentanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158757289) is acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;(3S)-2-[(2S)-2-(carboxyamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-iodospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;methane;[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl] trifluoromethanesulfonate;methyl N-[(3S)-2-[(3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-methylpentan-3-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(3S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]pentanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;(3S)-2-[(2S)-2-(carboxyamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-iodospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;methane;[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl] trifluoromethanesulfonate;methyl N-[(3S)-2-[(3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-methylpentan-3-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(3S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]pentanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;(3S)-2-[(2S)-2-(carboxyamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-iodospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;methane;[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl] trifluoromethanesulfonate;methyl N-[(3S)-2-[(3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-methylpentan-3-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(3S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]pentanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.CC(=O)O.CC(C)[C@H](NC(=O)O)C(=O)N1C2CC2C[C@H]1C(=O)O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)C[C@H](C(=O)N1C2CC2C[C@H]1C1=Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1)C(C)C.COC(=O)N[C@@H](C(C)C)C(C)N1C2CC2C[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1.COC(=O)N[C@H](C(=O)N1C(c2ncc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[nH]2)CC2CC21)C(C)C.COC(=O)N[C@H](C(=O)N1C2CC2C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1)C(C)C.COC(=O)N[C@H](C(=O)N1C2CC2C[C@H]1c1ncc(-c2ccc(-c3ccc(OS(=O)(=O)C(F)(F)F)c4c3CC3(CCCC3)C4)cc2)[nH]1)C(C)C.N.O=C(CBr)c1ccc(Br)cc1.O=S(=O)(Oc1ccc(I)c2c1CC1(CCCC1)C2)C(F)(F)F.

What is the InChIKey of acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;(3S)-2-[(2S)-2-(carboxyamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-iodospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;methane;[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl] trifluoromethanesulfonate;methyl N-[(3S)-2-[(3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-methylpentan-3-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(3S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]pentanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is XGPGSRPVGGGBCS-MFSBRNDCSA-N. The full InChI is InChI=1S/C35H39F3N4O6S.C27H37BN4O5.C27H37BN2O5.C22H29BrN4O2.C21H25BrN2O6.C14H14F3IO3S.C12H24B2O4.C12H18N2O5.C8H6Br2O.C2H4O2.CH4.H3N/c1-19(2)30(41-33(44)47-3)32(43)42-27-14-22(27)15-28(42)31-39-18-26(40-31)21-8-6-20(7-9-21)23-10-11-29(48-49(45,46)35(36,37)38)25-17-34(16-24(23)25)12-4-5-13-34;1-15(2)22(31-25(34)35-7)24(33)32-20-12-17(20)13-21(32)23-29-14-19(30-23)16-8-10-18(11-9-16)28-36-26(3,4)27(5,6)37-28;1-15(2)19(14-24(31)33-7)25(32)30-22-12-17(22)13-23(30)21-11-16-10-18(8-9-20(16)29-21)28-34-26(3,4)27(5,6)35-28;1-12(2)20(26-22(28)29-4)13(3)27-18-9-15(18)10-19(27)21-24-11-17(25-21)14-5-7-16(23)8-6-14;1-11(2)18(23-21(28)29-3)19(26)24-15-8-13(15)9-16(24)20(27)30-10-17(25)12-4-6-14(22)7-5-12;15-14(16,17)22(19,20)21-12-4-3-11(18)9-7-13(8-10(9)12)5-1-2-6-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-5(2)9(13-12(18)19)10(15)14-7-3-6(7)4-8(14)11(16)17;9-5-8(11)6-1-3-7(10)4-2-6;1-2(3)4;;/h6-11,18-19,22,27-28,30H,4-5,12-17H2,1-3H3,(H,39,40)(H,41,44);8-11,14-15,17,20-22H,12-13H2,1-7H3,(H,29,30)(H,31,34);8-10,15,17,19,22-23H,11-14H2,1-7H3;5-8,11-13,15,18-20H,9-10H2,1-4H3,(H,24,25)(H,26,28);4-7,11,13,15-16,18H,8-10H2,1-3H3,(H,23,28);3-4H,1-2,5-8H2;1-8H3;5-9,13H,3-4H2,1-2H3,(H,16,17)(H,18,19);1-4H,5H2;1H3,(H,3,4);1H4;1H3/t22?,27?,28-,30-;17?,20?,21?,22-;17?,19-,22?,23-;13?,15?,18?,19-,20-;13?,15?,16-,18-;;;6?,7?,8-,9-;;;;/m00000..0..../s1.

What are the key properties of acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;(3S)-2-[(2S)-2-(carboxyamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-iodospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;methane;[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl] trifluoromethanesulfonate;methyl N-[(3S)-2-[(3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-methylpentan-3-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(3S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]pentanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;(3S)-2-[(2S)-2-(carboxyamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-iodospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;methane;[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl] trifluoromethanesulfonate;methyl N-[(3S)-2-[(3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-methylpentan-3-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(3S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]pentanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3973.89 g/mol, XLogP of 31.52, 42 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate;(3S)-2-[(2S)-2-(carboxyamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(7-iodospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate;methane;[7-[4-[2-[(3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl] trifluoromethanesulfonate;methyl N-[(3S)-2-[(3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-methylpentan-3-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(3S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbonyl]pentanoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158757289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).