acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

C194H260BBr4N25O38 — CID 157352389

IUPACacetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
SMILESCC#N.CC(=O)O.CCN(CC)CC.COC(=O)N[C@@H](C(=O)O)c1ccccc1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1)C(C)C.COCC1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1.COCC1C[C@@H](C(=O)OCC(=O)c2ccc(Br)cc2)N(C(=O)OC(C)(C)C)C1.COC[C@H]1CC(c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1.COC[C@H]1C[C@@H](c2ncc(-c3ccc(-c4ccc(C5=CN=C([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)C5)cc4)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1.COC[C@H]1C[C@@H](c2ncc(-c3ccc(-c4ccc(C5=CN=C([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)C5)cc4)cc3)[nH]2)N(C[C@H](NC(=O)OC)c2ccccc2)C1.N.O=C(CBr)c1ccc(Br)cc1
InChIInChI=1S/C46H55N7O6.C41H52N6O6.C27H38BN3O5.C20H26BrN3O3.C20H26BrNO6.C12H21NO5.C10H11NO4.C8H6Br2O.C6H15N.C2H3N.C2H4O2.H3N/c1-29(2)42(51-46(56)59-5)44(54)53-21-9-12-40(53)37-23-36(24-47-37)33-15-13-31(14-16-33)32-17-19-35(20-18-32)38-25-48-43(49-38)41-22-30(28-57-3)26-52(41)27-39(50-45(55)58-4)34-10-7-6-8-11-34;1-25(2)36(45-39(49)52-7)38(48)46-18-8-9-34(46)32-20-31(21-42-32)29-12-10-27(11-13-29)28-14-16-30(17-15-28)33-22-43-37(44-33)35-19-26(24-51-6)23-47(35)40(50)53-41(3,4)5;1-17(2)23(30-25(33)34-7)24(32)31-14-8-9-22(31)21-15-19(16-29-21)18-10-12-20(13-11-18)28-35-26(3,4)27(5,6)36-28;1-20(2,3)27-19(25)24-11-13(12-26-4)9-17(24)18-22-10-16(23-18)14-5-7-15(21)8-6-14;1-20(2,3)28-19(25)22-10-13(11-26-4)9-16(22)18(24)27-12-17(23)14-5-7-15(21)8-6-14;1-12(2,3)18-11(16)13-6-8(7-17-4)5-9(13)10(14)15;1-15-10(14)11-8(9(12)13)7-5-3-2-4-6-7;9-5-8(11)6-1-3-7(10)4-2-6;1-4-7(5-2)6-3;1-2-3;1-2(3)4;/h6-8,10-11,13-20,24-25,29-30,39-42H,9,12,21-23,26-28H2,1-5H3,(H,48,49)(H,50,55)(H,51,56);10-17,21-22,25-26,34-36H,8-9,18-20,23-24H2,1-7H3,(H,43,44)(H,45,49);10-13,16-17,22-23H,8-9,14-15H2,1-7H3,(H,30,33);5-8,10,13,17H,9,11-12H2,1-4H3,(H,22,23);5-8,13,16H,9-12H2,1-4H3;8-9H,5-7H2,1-4H3,(H,14,15);2-6,8H,1H3,(H,11,14)(H,12,13);1-4H,5H2;4-6H2,1-3H3;1H3;1H3,(H,3,4);1H3/t30-,39-,40-,41-,42-;26-,34-,35-,36-;22-,23-;13-,17?;13?,16-;8?,9-;8-;;;;;/m0000001...../s1
InChIKeyOIVHLGPHGRJQHS-OVRCXEBUSA-N
MW3880.78 g/mol
LogP34.10
Rot. Bonds51

About acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate (PubChem CID 157352389) has the molecular formula C194H260BBr4N25O38 and a molecular weight of 3880.78 g/mol. Its IUPAC name is acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Nameacetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
PubChem CID157352389
Molecular FormulaC194H260BBr4N25O38
Molecular Weight3880.78 g/mol
Exact Mass3874.60
IUPAC Nameacetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
SMILESCC#N.CC(=O)O.CCN(CC)CC.COC(=O)N[C@@H](C(=O)O)c1ccccc1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1)C(C)C.COCC1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1.COCC1C[C@@H](C(=O)OCC(=O)c2ccc(Br)cc2)N(C(=O)OC(C)(C)C)C1.COC[C@H]1CC(c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1.COC[C@H]1C[C@@H](c2ncc(-c3ccc(-c4ccc(C5=CN=C([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)C5)cc4)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1.COC[C@H]1C[C@@H](c2ncc(-c3ccc(-c4ccc(C5=CN=C([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)C5)cc4)cc3)[nH]2)N(C[C@H](NC(=O)OC)c2ccccc2)C1.N.O=C(CBr)c1ccc(Br)cc1
InChIInChI=1S/C46H55N7O6.C41H52N6O6.C27H38BN3O5.C20H26BrN3O3.C20H26BrNO6.C12H21NO5.C10H11NO4.C8H6Br2O.C6H15N.C2H3N.C2H4O2.H3N/c1-29(2)42(51-46(56)59-5)44(54)53-21-9-12-40(53)37-23-36(24-47-37)33-15-13-31(14-16-33)32-17-19-35(20-18-32)38-25-48-43(49-38)41-22-30(28-57-3)26-52(41)27-39(50-45(55)58-4)34-10-7-6-8-11-34;1-25(2)36(45-39(49)52-7)38(48)46-18-8-9-34(46)32-20-31(21-42-32)29-12-10-27(11-13-29)28-14-16-30(17-15-28)33-22-43-37(44-33)35-19-26(24-51-6)23-47(35)40(50)53-41(3,4)5;1-17(2)23(30-25(33)34-7)24(32)31-14-8-9-22(31)21-15-19(16-29-21)18-10-12-20(13-11-18)28-35-26(3,4)27(5,6)36-28;1-20(2,3)27-19(25)24-11-13(12-26-4)9-17(24)18-22-10-16(23-18)14-5-7-15(21)8-6-14;1-20(2,3)28-19(25)22-10-13(11-26-4)9-16(22)18(24)27-12-17(23)14-5-7-15(21)8-6-14;1-12(2,3)18-11(16)13-6-8(7-17-4)5-9(13)10(14)15;1-15-10(14)11-8(9(12)13)7-5-3-2-4-6-7;9-5-8(11)6-1-3-7(10)4-2-6;1-4-7(5-2)6-3;1-2-3;1-2(3)4;/h6-8,10-11,13-20,24-25,29-30,39-42H,9,12,21-23,26-28H2,1-5H3,(H,48,49)(H,50,55)(H,51,56);10-17,21-22,25-26,34-36H,8-9,18-20,23-24H2,1-7H3,(H,43,44)(H,45,49);10-13,16-17,22-23H,8-9,14-15H2,1-7H3,(H,30,33);5-8,10,13,17H,9,11-12H2,1-4H3,(H,22,23);5-8,13,16H,9-12H2,1-4H3;8-9H,5-7H2,1-4H3,(H,14,15);2-6,8H,1H3,(H,11,14)(H,12,13);1-4H,5H2;4-6H2,1-3H3;1H3;1H3,(H,3,4);1H3/t30-,39-,40-,41-,42-;26-,34-,35-,36-;22-,23-;13-,17?;13?,16-;8?,9-;8-;;;;;/m0000001...../s1
InChIKeyOIVHLGPHGRJQHS-OVRCXEBUSA-N
XLogP34.10
TPSA796.08 Ų
H-Bond Donors12
H-Bond Acceptors45
Rotatable Bonds51
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003880.78
LogP ≤ 534.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1045

Analyze acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 158746999
tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate
CID 157352390
2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 161408487
2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 158964275
tert-butyl (2S,4S)-2-(5-bromo-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;molecular hydrogen
CID 161076751
tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-(methoxymethyl)pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-(methoxymethyl)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(1R)-2-[(2S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-(methoxymethyl)pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(methoxymethyl)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 161129093
5-(6-bromonaphthalen-2-yl)-2-cyclopentyl-1H-imidazole;1-(4-bromophenyl)-2-chloroethanone;tert-butyl (6S)-6-[4-(4-bromophenyl)-1H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(6S)-6-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(1R)-2-[(2S)-2-[5-[6-[4-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 161100982
tert-butyl N-[(1R)-2-[(2S,4S)-2-[4-[4-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-4-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;cyclopropanecarboxylic acid;methyl N-[(2S)-1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 158439712
tert-butyl N-[2-(4-bromophenyl)-2-oxoethyl]carbamate;tert-butyl N-[2-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-oxoethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 160958438
tert-butyl (1R,3S,5R)-3-[17-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(2S,4S)-2-(5-bromo-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(1R)-2-[(1R,3S,5R)-3-[17-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-phenylethyl]carbamate
CID 159343966
acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 161006660
methyl N-[(2S)-1-[(2S,4S)-2-[4-[4-[4-[2-[(2S,4S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-4-methylsulfanylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 159301380

Frequently Asked Questions

What is the IUPAC name of acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?
The IUPAC name of acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate (CID 157352389) is acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate.
What is the SMILES notation for acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?
The canonical SMILES for acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate is CC#N.CC(=O)O.CCN(CC)CC.COC(=O)N[C@@H](C(=O)O)c1ccccc1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1)C(C)C.COCC1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1.COCC1C[C@@H](C(=O)OCC(=O)c2ccc(Br)cc2)N(C(=O)OC(C)(C)C)C1.COC[C@H]1CC(c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1.COC[C@H]1C[C@@H](c2ncc(-c3ccc(-c4ccc(C5=CN=C([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)C5)cc4)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1.COC[C@H]1C[C@@H](c2ncc(-c3ccc(-c4ccc(C5=CN=C([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)C5)cc4)cc3)[nH]2)N(C[C@H](NC(=O)OC)c2ccccc2)C1.N.O=C(CBr)c1ccc(Br)cc1.
What is the InChIKey of acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?
The InChIKey is OIVHLGPHGRJQHS-OVRCXEBUSA-N. The full InChI is InChI=1S/C46H55N7O6.C41H52N6O6.C27H38BN3O5.C20H26BrN3O3.C20H26BrNO6.C12H21NO5.C10H11NO4.C8H6Br2O.C6H15N.C2H3N.C2H4O2.H3N/c1-29(2)42(51-46(56)59-5)44(54)53-21-9-12-40(53)37-23-36(24-47-37)33-15-13-31(14-16-33)32-17-19-35(20-18-32)38-25-48-43(49-38)41-22-30(28-57-3)26-52(41)27-39(50-45(55)58-4)34-10-7-6-8-11-34;1-25(2)36(45-39(49)52-7)38(48)46-18-8-9-34(46)32-20-31(21-42-32)29-12-10-27(11-13-29)28-14-16-30(17-15-28)33-22-43-37(44-33)35-19-26(24-51-6)23-47(35)40(50)53-41(3,4)5;1-17(2)23(30-25(33)34-7)24(32)31-14-8-9-22(31)21-15-19(16-29-21)18-10-12-20(13-11-18)28-35-26(3,4)27(5,6)36-28;1-20(2,3)27-19(25)24-11-13(12-26-4)9-17(24)18-22-10-16(23-18)14-5-7-15(21)8-6-14;1-20(2,3)28-19(25)22-10-13(11-26-4)9-16(22)18(24)27-12-17(23)14-5-7-15(21)8-6-14;1-12(2,3)18-11(16)13-6-8(7-17-4)5-9(13)10(14)15;1-15-10(14)11-8(9(12)13)7-5-3-2-4-6-7;9-5-8(11)6-1-3-7(10)4-2-6;1-4-7(5-2)6-3;1-2-3;1-2(3)4;/h6-8,10-11,13-20,24-25,29-30,39-42H,9,12,21-23,26-28H2,1-5H3,(H,48,49)(H,50,55)(H,51,56);10-17,21-22,25-26,34-36H,8-9,18-20,23-24H2,1-7H3,(H,43,44)(H,45,49);10-13,16-17,22-23H,8-9,14-15H2,1-7H3,(H,30,33);5-8,10,13,17H,9,11-12H2,1-4H3,(H,22,23);5-8,13,16H,9-12H2,1-4H3;8-9H,5-7H2,1-4H3,(H,14,15);2-6,8H,1H3,(H,11,14)(H,12,13);1-4H,5H2;4-6H2,1-3H3;1H3;1H3,(H,3,4);1H3/t30-,39-,40-,41-,42-;26-,34-,35-,36-;22-,23-;13-,17?;13?,16-;8?,9-;8-;;;;;/m0000001...../s1.
What are the key properties of acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?
acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate has a molecular weight of 3880.78 g/mol, XLogP of 34.10, 51 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate is sourced from PubChem (CID 157352389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).