lithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde

C183H235Br5F3KLiN23O29Si2 — CID 158274475

IUPAClithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde
SMILESBrBr.Brc1ccccn1.C.C1CCOC1.CC(=O)C(C)(C)CO.CC(=O)C(C)C.CC(=O)NC(C(=O)O)n1nnc2ccccc21.CC(C)(C)[O-].CC(C)(CO)C(=O)CBr.CC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)CBr.CC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)CN1C(=O)C(NC(=O)OCc2ccccc2)N=C(c2ccccn2)c2ccccc21.CO.Cc1ccccc1.N#Cc1ccccc1N.NC(=O)OCc1ccccc1.Nc1ccccc1C(=O)c1ccccn1.O=C(NC(C(=O)Nc1ccccc1C(=O)c1ccccn1)n1nnc2ccccc21)OCc1ccccc1.O=C(NC1N=C(c2ccccn2)c2ccccc2CC1=O)OCc1ccccc1.O=CC(F)(F)F.[2H]CC.[2H]CC.[CH2-]CCC.[K+].[Li+]
InChIInChI=1S/C34H42N4O5Si.C28H22N6O4.C23H19N3O3.C12H25BrO2Si.C12H10N2O.C10H10N4O3.C8H9NO2.C7H6N2.C7H8.C6H11BrO2.C6H12O2.C5H4BrN.C5H10O.C4H8O.C4H9O.C4H9.C2HF3O.2C2H6.CH4O.CH4.Br2.K.Li/c1-33(2,3)44(6,7)43-23-34(4,5)28(39)21-38-27-19-12-11-17-25(27)29(26-18-13-14-20-35-26)36-30(31(38)40)37-32(41)42-22-24-15-9-8-10-16-24;35-25(23-15-8-9-17-29-23)20-12-4-5-13-21(20)30-27(36)26(34-24-16-7-6-14-22(24)32-33-34)31-28(37)38-18-19-10-2-1-3-11-19;27-20-14-17-10-4-5-11-18(17)21(19-12-6-7-13-24-19)25-22(20)26-23(28)29-15-16-8-2-1-3-9-16;1-11(2,3)16(6,7)15-9-12(4,5)10(14)8-13;13-10-6-2-1-5-9(10)12(15)11-7-3-4-8-14-11;1-6(15)11-9(10(16)17)14-8-5-3-2-4-7(8)12-13-14;9-8(10)11-6-7-4-2-1-3-5-7;8-5-6-3-1-2-4-7(6)9;1-7-5-3-2-4-6-7;1-6(2,4-8)5(9)3-7;1-5(8)6(2,3)4-7;6-5-3-1-2-4-7-5;1-4(2)5(3)6;1-2-4-5-3-1;1-4(2,3)5;1-3-4-2;3-2(4,5)1-6;3*1-2;;1-2;;/h8-20,30H,21-23H2,1-7H3,(H,37,41);1-17,26H,18H2,(H,30,36)(H,31,37);1-13,22H,14-15H2,(H,26,28);8-9H2,1-7H3;1-8H,13H2;2-5,9H,1H3,(H,11,15)(H,16,17);1-5H,6H2,(H2,9,10);1-4H,9H2;2-6H,1H3;8H,3-4H2,1-2H3;7H,4H2,1-3H3;1-4H;4H,1-3H3;1-4H2;1-3H3;1,3-4H2,2H3;1H;2*1-2H3;2H,1H3;1H4;;;/q;;;;;;;;;;;;;;2*-1;;;;;;;2*+1/i;;;;;;;;;;;;;;;;;2*1D;;;;;
InChIKeyWFMZWOKFDWPYAJ-OQJCMHQPSA-N
MW3781.76 g/mol
LogP29.96
Rot. Bonds41

About lithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde

lithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde (PubChem CID 158274475) has the molecular formula C183H235Br5F3KLiN23O29Si2 and a molecular weight of 3781.76 g/mol. Its IUPAC name is lithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Namelithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde
PubChem CID158274475
Molecular FormulaC183H235Br5F3KLiN23O29Si2
Molecular Weight3781.76 g/mol
Exact Mass3774.30
IUPAC Namelithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde
SMILESBrBr.Brc1ccccn1.C.C1CCOC1.CC(=O)C(C)(C)CO.CC(=O)C(C)C.CC(=O)NC(C(=O)O)n1nnc2ccccc21.CC(C)(C)[O-].CC(C)(CO)C(=O)CBr.CC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)CBr.CC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)CN1C(=O)C(NC(=O)OCc2ccccc2)N=C(c2ccccn2)c2ccccc21.CO.Cc1ccccc1.N#Cc1ccccc1N.NC(=O)OCc1ccccc1.Nc1ccccc1C(=O)c1ccccn1.O=C(NC(C(=O)Nc1ccccc1C(=O)c1ccccn1)n1nnc2ccccc21)OCc1ccccc1.O=C(NC1N=C(c2ccccn2)c2ccccc2CC1=O)OCc1ccccc1.O=CC(F)(F)F.[2H]CC.[2H]CC.[CH2-]CCC.[K+].[Li+]
InChIInChI=1S/C34H42N4O5Si.C28H22N6O4.C23H19N3O3.C12H25BrO2Si.C12H10N2O.C10H10N4O3.C8H9NO2.C7H6N2.C7H8.C6H11BrO2.C6H12O2.C5H4BrN.C5H10O.C4H8O.C4H9O.C4H9.C2HF3O.2C2H6.CH4O.CH4.Br2.K.Li/c1-33(2,3)44(6,7)43-23-34(4,5)28(39)21-38-27-19-12-11-17-25(27)29(26-18-13-14-20-35-26)36-30(31(38)40)37-32(41)42-22-24-15-9-8-10-16-24;35-25(23-15-8-9-17-29-23)20-12-4-5-13-21(20)30-27(36)26(34-24-16-7-6-14-22(24)32-33-34)31-28(37)38-18-19-10-2-1-3-11-19;27-20-14-17-10-4-5-11-18(17)21(19-12-6-7-13-24-19)25-22(20)26-23(28)29-15-16-8-2-1-3-9-16;1-11(2,3)16(6,7)15-9-12(4,5)10(14)8-13;13-10-6-2-1-5-9(10)12(15)11-7-3-4-8-14-11;1-6(15)11-9(10(16)17)14-8-5-3-2-4-7(8)12-13-14;9-8(10)11-6-7-4-2-1-3-5-7;8-5-6-3-1-2-4-7(6)9;1-7-5-3-2-4-6-7;1-6(2,4-8)5(9)3-7;1-5(8)6(2,3)4-7;6-5-3-1-2-4-7-5;1-4(2)5(3)6;1-2-4-5-3-1;1-4(2,3)5;1-3-4-2;3-2(4,5)1-6;3*1-2;;1-2;;/h8-20,30H,21-23H2,1-7H3,(H,37,41);1-17,26H,18H2,(H,30,36)(H,31,37);1-13,22H,14-15H2,(H,26,28);8-9H2,1-7H3;1-8H,13H2;2-5,9H,1H3,(H,11,15)(H,16,17);1-5H,6H2,(H2,9,10);1-4H,9H2;2-6H,1H3;8H,3-4H2,1-2H3;7H,4H2,1-3H3;1-4H;4H,1-3H3;1-4H2;1-3H3;1,3-4H2,2H3;1H;2*1-2H3;2H,1H3;1H4;;;/q;;;;;;;;;;;;;;2*-1;;;;;;;2*+1/i;;;;;;;;;;;;;;;;;2*1D;;;;;
InChIKeyWFMZWOKFDWPYAJ-OQJCMHQPSA-N
XLogP29.96
TPSA774.61 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds41
Heavy Atoms247
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003781.76
LogP ≤ 529.96
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze lithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde?
The IUPAC name of lithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde (CID 158274475) is lithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for lithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for lithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde is BrBr.Brc1ccccn1.C.C1CCOC1.CC(=O)C(C)(C)CO.CC(=O)C(C)C.CC(=O)NC(C(=O)O)n1nnc2ccccc21.CC(C)(C)[O-].CC(C)(CO)C(=O)CBr.CC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)CBr.CC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)CN1C(=O)C(NC(=O)OCc2ccccc2)N=C(c2ccccn2)c2ccccc21.CO.Cc1ccccc1.N#Cc1ccccc1N.NC(=O)OCc1ccccc1.Nc1ccccc1C(=O)c1ccccn1.O=C(NC(C(=O)Nc1ccccc1C(=O)c1ccccn1)n1nnc2ccccc21)OCc1ccccc1.O=C(NC1N=C(c2ccccn2)c2ccccc2CC1=O)OCc1ccccc1.O=CC(F)(F)F.[2H]CC.[2H]CC.[CH2-]CCC.[K+].[Li+].
What is the InChIKey of lithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde?
The InChIKey is WFMZWOKFDWPYAJ-OQJCMHQPSA-N. The full InChI is InChI=1S/C34H42N4O5Si.C28H22N6O4.C23H19N3O3.C12H25BrO2Si.C12H10N2O.C10H10N4O3.C8H9NO2.C7H6N2.C7H8.C6H11BrO2.C6H12O2.C5H4BrN.C5H10O.C4H8O.C4H9O.C4H9.C2HF3O.2C2H6.CH4O.CH4.Br2.K.Li/c1-33(2,3)44(6,7)43-23-34(4,5)28(39)21-38-27-19-12-11-17-25(27)29(26-18-13-14-20-35-26)36-30(31(38)40)37-32(41)42-22-24-15-9-8-10-16-24;35-25(23-15-8-9-17-29-23)20-12-4-5-13-21(20)30-27(36)26(34-24-16-7-6-14-22(24)32-33-34)31-28(37)38-18-19-10-2-1-3-11-19;27-20-14-17-10-4-5-11-18(17)21(19-12-6-7-13-24-19)25-22(20)26-23(28)29-15-16-8-2-1-3-9-16;1-11(2,3)16(6,7)15-9-12(4,5)10(14)8-13;13-10-6-2-1-5-9(10)12(15)11-7-3-4-8-14-11;1-6(15)11-9(10(16)17)14-8-5-3-2-4-7(8)12-13-14;9-8(10)11-6-7-4-2-1-3-5-7;8-5-6-3-1-2-4-7(6)9;1-7-5-3-2-4-6-7;1-6(2,4-8)5(9)3-7;1-5(8)6(2,3)4-7;6-5-3-1-2-4-7-5;1-4(2)5(3)6;1-2-4-5-3-1;1-4(2,3)5;1-3-4-2;3-2(4,5)1-6;3*1-2;;1-2;;/h8-20,30H,21-23H2,1-7H3,(H,37,41);1-17,26H,18H2,(H,30,36)(H,31,37);1-13,22H,14-15H2,(H,26,28);8-9H2,1-7H3;1-8H,13H2;2-5,9H,1H3,(H,11,15)(H,16,17);1-5H,6H2,(H2,9,10);1-4H,9H2;2-6H,1H3;8H,3-4H2,1-2H3;7H,4H2,1-3H3;1-4H;4H,1-3H3;1-4H2;1-3H3;1,3-4H2,2H3;1H;2*1-2H3;2H,1H3;1H4;;;/q;;;;;;;;;;;;;;2*-1;;;;;;;2*+1/i;;;;;;;;;;;;;;;;;2*1D;;;;;.
What are the key properties of lithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde?
lithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde has a molecular weight of 3781.76 g/mol, XLogP of 29.96, 41 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;2-acetamido-2-(benzotriazol-1-yl)acetic acid;2-aminobenzonitrile;(2-aminophenyl)-pyridin-2-ylmethanone;benzyl N-[1-(benzotriazol-1-yl)-2-oxo-2-[2-(pyridine-2-carbonyl)anilino]ethyl]carbamate;benzyl N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxobutyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate;benzyl carbamate;benzyl N-(4-oxo-1-pyridin-2-yl-3,5-dihydro-2-benzazepin-3-yl)carbamate;1-bromo-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one;1-bromo-4-hydroxy-3,3-dimethylbutan-2-one;2-bromopyridine;butane;deuterioethane;4-hydroxy-3,3-dimethylbutan-2-one;methane;methanol;3-methylbutan-2-one;2-methylpropan-2-olate;molecular bromine;oxolane;toluene;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158274475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).