lithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide

C194H205BBr3Cl2LiN14O49 — CID 161144706

IUPAClithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide
SMILESCOC(=O)NC(C(=O)N1CCC[C@@]1(C)C(=O)O)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@@]1(C)C(=O)OCC(=O)c1ccc(-c2ccc(C(=O)COC(=O)[C@]3(C)CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)c3oc(C)cc23)cc1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@@]1(C)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@]5(C)CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)c4oc(C)cc34)cc2)[nH]1)C(C)C.COC(=O)c1ccc(-c2ccc(C(=O)OC)c3oc(C)cc23)cc1.COC(=O)c1ccc(B(O)O)cc1.COC(=O)c1ccc(Br)c2cc(C)oc12.Cc1cc2c(-c3ccc(C(=O)CBr)cc3)ccc(C(=O)CBr)c2o1.Cc1cc2c(-c3ccc(C(=O)Cl)cc3)ccc(C(=O)Cl)c2o1.Cc1cc2c(-c3ccc(C(=O)O)cc3)ccc(C(=O)O)c2o1.[Li+].[OH-]
InChIInChI=1S/C45H56N8O7.C45H56N4O13.C19H14Br2O3.C19H16O5.C17H10Cl2O3.C17H12O5.C13H22N2O5.C11H9BrO3.C8H9BO4.Li.H2O/c1-25(2)35(50-42(56)58-8)38(54)52-20-10-18-44(52,6)40-46-23-33(48-40)29-14-12-28(13-15-29)30-16-17-31(37-32(30)22-27(5)60-37)34-24-47-41(49-34)45(7)19-11-21-53(45)39(55)36(26(3)4)51-43(57)59-9;1-25(2)35(46-42(56)58-8)38(52)48-20-10-18-44(48,6)40(54)60-23-33(50)29-14-12-28(13-15-29)30-16-17-31(37-32(30)22-27(5)62-37)34(51)24-61-41(55)45(7)19-11-21-49(45)39(53)36(26(3)4)47-43(57)59-9;1-11-8-16-14(6-7-15(18(23)10-21)19(16)24-11)12-2-4-13(5-3-12)17(22)9-20;1-11-10-16-14(8-9-15(17(16)24-11)19(21)23-3)12-4-6-13(7-5-12)18(20)22-2;1-9-8-14-12(6-7-13(17(19)21)15(14)22-9)10-2-4-11(5-3-10)16(18)20;1-9-8-14-12(6-7-13(17(20)21)15(14)22-9)10-2-4-11(5-3-10)16(18)19;1-8(2)9(14-12(19)20-4)10(16)15-7-5-6-13(15,3)11(17)18;1-6-5-8-9(12)4-3-7(10(8)15-6)11(13)14-2;1-13-8(10)6-2-4-7(5-3-6)9(11)12;;/h12-17,22-26,35-36H,10-11,18-21H2,1-9H3,(H,46,48)(H,47,49)(H,50,56)(H,51,57);12-17,22,25-26,35-36H,10-11,18-21,23-24H2,1-9H3,(H,46,56)(H,47,57);2-8H,9-10H2,1H3;4-10H,1-3H3;2-8H,1H3;2-8H,1H3,(H,18,19)(H,20,21);8-9H,5-7H2,1-4H3,(H,14,19)(H,17,18);3-5H,1-2H3;2-5,11-12H,1H3;;1H2/q;;;;;;;;;+1;/p-1/t2*35-,36-,44-,45-;;;;;9?,13-;;;;/m00....0..../s1
InChIKeyUNWYJEVCGDOWKD-SLJWGEESSA-M
MW3845.19 g/mol
LogP31.63
Rot. Bonds47

About lithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide

lithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide (PubChem CID 161144706) has the molecular formula C194H205BBr3Cl2LiN14O49 and a molecular weight of 3845.19 g/mol. Its IUPAC name is lithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide.

Molecular Properties

Compound Namelithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide
PubChem CID161144706
Molecular FormulaC194H205BBr3Cl2LiN14O49
Molecular Weight3845.19 g/mol
Exact Mass3839.12
IUPAC Namelithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide
SMILESCOC(=O)NC(C(=O)N1CCC[C@@]1(C)C(=O)O)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@@]1(C)C(=O)OCC(=O)c1ccc(-c2ccc(C(=O)COC(=O)[C@]3(C)CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)c3oc(C)cc23)cc1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@@]1(C)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@]5(C)CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)c4oc(C)cc34)cc2)[nH]1)C(C)C.COC(=O)c1ccc(-c2ccc(C(=O)OC)c3oc(C)cc23)cc1.COC(=O)c1ccc(B(O)O)cc1.COC(=O)c1ccc(Br)c2cc(C)oc12.Cc1cc2c(-c3ccc(C(=O)CBr)cc3)ccc(C(=O)CBr)c2o1.Cc1cc2c(-c3ccc(C(=O)Cl)cc3)ccc(C(=O)Cl)c2o1.Cc1cc2c(-c3ccc(C(=O)O)cc3)ccc(C(=O)O)c2o1.[Li+].[OH-]
InChIInChI=1S/C45H56N8O7.C45H56N4O13.C19H14Br2O3.C19H16O5.C17H10Cl2O3.C17H12O5.C13H22N2O5.C11H9BrO3.C8H9BO4.Li.H2O/c1-25(2)35(50-42(56)58-8)38(54)52-20-10-18-44(52,6)40-46-23-33(48-40)29-14-12-28(13-15-29)30-16-17-31(37-32(30)22-27(5)60-37)34-24-47-41(49-34)45(7)19-11-21-53(45)39(55)36(26(3)4)51-43(57)59-9;1-25(2)35(46-42(56)58-8)38(52)48-20-10-18-44(48,6)40(54)60-23-33(50)29-14-12-28(13-15-29)30-16-17-31(37-32(30)22-27(5)62-37)34(51)24-61-41(55)45(7)19-11-21-49(45)39(53)36(26(3)4)47-43(57)59-9;1-11-8-16-14(6-7-15(18(23)10-21)19(16)24-11)12-2-4-13(5-3-12)17(22)9-20;1-11-10-16-14(8-9-15(17(16)24-11)19(21)23-3)12-4-6-13(7-5-12)18(20)22-2;1-9-8-14-12(6-7-13(17(19)21)15(14)22-9)10-2-4-11(5-3-10)16(18)20;1-9-8-14-12(6-7-13(17(20)21)15(14)22-9)10-2-4-11(5-3-10)16(18)19;1-8(2)9(14-12(19)20-4)10(16)15-7-5-6-13(15,3)11(17)18;1-6-5-8-9(12)4-3-7(10(8)15-6)11(13)14-2;1-13-8(10)6-2-4-7(5-3-6)9(11)12;;/h12-17,22-26,35-36H,10-11,18-21H2,1-9H3,(H,46,48)(H,47,49)(H,50,56)(H,51,57);12-17,22,25-26,35-36H,10-11,18-21,23-24H2,1-9H3,(H,46,56)(H,47,57);2-8H,9-10H2,1H3;4-10H,1-3H3;2-8H,1H3;2-8H,1H3,(H,18,19)(H,20,21);8-9H,5-7H2,1-4H3,(H,14,19)(H,17,18);3-5H,1-2H3;2-5,11-12H,1H3;;1H2/q;;;;;;;;;+1;/p-1/t2*35-,36-,44-,45-;;;;;9?,13-;;;;/m00....0..../s1
InChIKeyUNWYJEVCGDOWKD-SLJWGEESSA-M
XLogP31.63
TPSA885.12 Ų
H-Bond Donors12
H-Bond Acceptors48
Rotatable Bonds47
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003845.19
LogP ≤ 531.63
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1048

Analyze lithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide with MolForge

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Related Compounds

[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-1,3-benzothiazol-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate
CID 58315925
methyl N-[1-[2-[5-[4-[7-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-1,3-benzothiazol-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 76758521
methyl N-[(2S)-1-[(2S)-2-[5-[7-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58316259
methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-1,3-benzothiazol-4-yl]-1,3-benzothiazol-7-yl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 57410306
methyl N-[(2S)-1-[2-[5-[4-[4-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 71101884
CID 88936781
CID 88936781
methyl N-[1-[2-[5-[4-[7-[2-[1-[2-(methoxycarbonylamino)butanoyl]-2-methylpiperidin-2-yl]-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-4-yl]phenyl]-1H-imidazol-2-yl]-2,5-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 123920189
azane;tris([(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-methoxy-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid)
CID 172806046
methyl N-[(2S)-1-[(2S)-2-[6-[5-[2-[2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-1-yl]-3H-benzimidazol-5-yl]naphthalen-1-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[1-[5-[4-[7-[2-[2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-1-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[(2S)-2-[5-[4-[7-[2-[2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-1-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 159254372
methyl N-[(2S)-1-[(2S)-2-[5-(2,4-dimethyl-1-benzofuran-7-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58316198
methyl N-[1-[2-[5-[4-[7-[2-[1-[2-[[hydroxy(methoxy)methyl]amino]-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-3-methyl-1H-indol-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 123608691
1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 67495534

Frequently Asked Questions

What is the IUPAC name of lithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide?
The IUPAC name of lithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide (CID 161144706) is lithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide.
What is the SMILES notation for lithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide?
The canonical SMILES for lithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide is COC(=O)NC(C(=O)N1CCC[C@@]1(C)C(=O)O)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@@]1(C)C(=O)OCC(=O)c1ccc(-c2ccc(C(=O)COC(=O)[C@]3(C)CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)c3oc(C)cc23)cc1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@@]1(C)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@]5(C)CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)c4oc(C)cc34)cc2)[nH]1)C(C)C.COC(=O)c1ccc(-c2ccc(C(=O)OC)c3oc(C)cc23)cc1.COC(=O)c1ccc(B(O)O)cc1.COC(=O)c1ccc(Br)c2cc(C)oc12.Cc1cc2c(-c3ccc(C(=O)CBr)cc3)ccc(C(=O)CBr)c2o1.Cc1cc2c(-c3ccc(C(=O)Cl)cc3)ccc(C(=O)Cl)c2o1.Cc1cc2c(-c3ccc(C(=O)O)cc3)ccc(C(=O)O)c2o1.[Li+].[OH-].
What is the InChIKey of lithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide?
The InChIKey is UNWYJEVCGDOWKD-SLJWGEESSA-M. The full InChI is InChI=1S/C45H56N8O7.C45H56N4O13.C19H14Br2O3.C19H16O5.C17H10Cl2O3.C17H12O5.C13H22N2O5.C11H9BrO3.C8H9BO4.Li.H2O/c1-25(2)35(50-42(56)58-8)38(54)52-20-10-18-44(52,6)40-46-23-33(48-40)29-14-12-28(13-15-29)30-16-17-31(37-32(30)22-27(5)60-37)34-24-47-41(49-34)45(7)19-11-21-53(45)39(55)36(26(3)4)51-43(57)59-9;1-25(2)35(46-42(56)58-8)38(52)48-20-10-18-44(48,6)40(54)60-23-33(50)29-14-12-28(13-15-29)30-16-17-31(37-32(30)22-27(5)62-37)34(51)24-61-41(55)45(7)19-11-21-49(45)39(53)36(26(3)4)47-43(57)59-9;1-11-8-16-14(6-7-15(18(23)10-21)19(16)24-11)12-2-4-13(5-3-12)17(22)9-20;1-11-10-16-14(8-9-15(17(16)24-11)19(21)23-3)12-4-6-13(7-5-12)18(20)22-2;1-9-8-14-12(6-7-13(17(19)21)15(14)22-9)10-2-4-11(5-3-10)16(18)20;1-9-8-14-12(6-7-13(17(20)21)15(14)22-9)10-2-4-11(5-3-10)16(18)19;1-8(2)9(14-12(19)20-4)10(16)15-7-5-6-13(15,3)11(17)18;1-6-5-8-9(12)4-3-7(10(8)15-6)11(13)14-2;1-13-8(10)6-2-4-7(5-3-6)9(11)12;;/h12-17,22-26,35-36H,10-11,18-21H2,1-9H3,(H,46,48)(H,47,49)(H,50,56)(H,51,57);12-17,22,25-26,35-36H,10-11,18-21,23-24H2,1-9H3,(H,46,56)(H,47,57);2-8H,9-10H2,1H3;4-10H,1-3H3;2-8H,1H3;2-8H,1H3,(H,18,19)(H,20,21);8-9H,5-7H2,1-4H3,(H,14,19)(H,17,18);3-5H,1-2H3;2-5,11-12H,1H3;;1H2/q;;;;;;;;;+1;/p-1/t2*35-,36-,44-,45-;;;;;9?,13-;;;;/m00....0..../s1.
What are the key properties of lithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide?
lithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide has a molecular weight of 3845.19 g/mol, XLogP of 31.63, 47 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-bromo-1-[4-[7-(2-bromoacetyl)-2-methyl-1-benzofuran-4-yl]phenyl]ethanone;4-(4-carbonochloridoylphenyl)-2-methyl-1-benzofuran-7-carbonyl chloride;4-(4-carboxyphenyl)-2-methyl-1-benzofuran-7-carboxylic acid;[2-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carbonyl]oxyacetyl]-2-methyl-1-benzofuran-4-yl]phenyl]-2-oxoethyl] (2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylate;(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidine-2-carboxylic acid;(4-methoxycarbonylphenyl)boronic acid;methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-1-benzofuran-4-yl]phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 4-(4-methoxycarbonylphenyl)-2-methyl-1-benzofuran-7-carboxylate;hydroxide is sourced from PubChem (CID 161144706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).