sodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride

C127H149BBrClF4N11NaO23 — CID 158508233

IUPACsodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride
SMILESC.C.C.C.C.CCCC[C@@H](CN)NC(=O)OC(C)(C)C.CCCC[C@@H](CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccc(C(=O)O)cc1)NC(=O)OC(C)(C)C.COC(=O)c1c(-c2ccc(C(N)=O)cc2)c2ccc(-c3ccc(F)cc3)cc2n1C(=O)OC(C)(C)C.COC(=O)c1c(Br)c2ccc(-c3ccc(F)cc3)cc2n1C(=O)OC(C)(C)C.Cl.NC(=O)c1ccc(-c2c(C(=O)O)[nH]c3cc(-c4ccc(F)cc4)ccc23)cc1.NC(=O)c1ccc(B(O)O)cc1.[Na+].[OH-]
InChIInChI=1S/C33H36FN3O5.C28H25FN2O5.C22H15FN2O3.C21H19BrFNO4.C11H24N2O2.C7H8BNO3.5CH4.ClH.Na.H2O/c1-5-6-7-25(36-32(41)42-33(2,3)4)19-35-30(38)29-28(21-8-10-22(11-9-21)31(39)40)26-17-14-23(18-27(26)37-29)20-12-15-24(34)16-13-20;1-28(2,3)36-27(34)31-22-15-19(16-9-12-20(29)13-10-16)11-14-21(22)23(24(31)26(33)35-4)17-5-7-18(8-6-17)25(30)32;23-16-8-5-12(6-9-16)15-7-10-17-18(11-15)25-20(22(27)28)19(17)13-1-3-14(4-2-13)21(24)26;1-21(2,3)28-20(26)24-16-11-13(12-5-8-14(23)9-6-12)7-10-15(16)17(22)18(24)19(25)27-4;1-5-6-7-9(8-12)13-10(14)15-11(2,3)4;9-7(10)5-1-3-6(4-2-5)8(11)12;;;;;;;;/h8-18,25,37H,5-7,19H2,1-4H3,(H,35,38)(H,36,41)(H,39,40);5-15H,1-4H3,(H2,30,32);1-11,25H,(H2,24,26)(H,27,28);5-11H,1-4H3;9H,5-8,12H2,1-4H3,(H,13,14);1-4,11-12H,(H2,9,10);5*1H4;1H;;1H2/q;;;;;;;;;;;;+1;/p-1/t25-;;;;9-;;;;;;;;;/m0...0........./s1
InChIKeyVFRVPYRZWRPODL-UCFHLBIUSA-M
MW2422.79 g/mol
LogP24.08
Rot. Bonds27

About sodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride

sodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride (PubChem CID 158508233) has the molecular formula C127H149BBrClF4N11NaO23 and a molecular weight of 2422.79 g/mol. Its IUPAC name is sodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride.

Molecular Properties

Compound Namesodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride
PubChem CID158508233
Molecular FormulaC127H149BBrClF4N11NaO23
Molecular Weight2422.79 g/mol
Exact Mass2419.96
IUPAC Namesodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride
SMILESC.C.C.C.C.CCCC[C@@H](CN)NC(=O)OC(C)(C)C.CCCC[C@@H](CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccc(C(=O)O)cc1)NC(=O)OC(C)(C)C.COC(=O)c1c(-c2ccc(C(N)=O)cc2)c2ccc(-c3ccc(F)cc3)cc2n1C(=O)OC(C)(C)C.COC(=O)c1c(Br)c2ccc(-c3ccc(F)cc3)cc2n1C(=O)OC(C)(C)C.Cl.NC(=O)c1ccc(-c2c(C(=O)O)[nH]c3cc(-c4ccc(F)cc4)ccc23)cc1.NC(=O)c1ccc(B(O)O)cc1.[Na+].[OH-]
InChIInChI=1S/C33H36FN3O5.C28H25FN2O5.C22H15FN2O3.C21H19BrFNO4.C11H24N2O2.C7H8BNO3.5CH4.ClH.Na.H2O/c1-5-6-7-25(36-32(41)42-33(2,3)4)19-35-30(38)29-28(21-8-10-22(11-9-21)31(39)40)26-17-14-23(18-27(26)37-29)20-12-15-24(34)16-13-20;1-28(2,3)36-27(34)31-22-15-19(16-9-12-20(29)13-10-16)11-14-21(22)23(24(31)26(33)35-4)17-5-7-18(8-6-17)25(30)32;23-16-8-5-12(6-9-16)15-7-10-17-18(11-15)25-20(22(27)28)19(17)13-1-3-14(4-2-13)21(24)26;1-21(2,3)28-20(26)24-16-11-13(12-5-8-14(23)9-6-12)7-10-15(16)17(22)18(24)19(25)27-4;1-5-6-7-9(8-12)13-10(14)15-11(2,3)4;9-7(10)5-1-3-6(4-2-5)8(11)12;;;;;;;;/h8-18,25,37H,5-7,19H2,1-4H3,(H,35,38)(H,36,41)(H,39,40);5-15H,1-4H3,(H2,30,32);1-11,25H,(H2,24,26)(H,27,28);5-11H,1-4H3;9H,5-8,12H2,1-4H3,(H,13,14);1-4,11-12H,(H2,9,10);5*1H4;1H;;1H2/q;;;;;;;;;;;;+1;/p-1/t25-;;;;9-;;;;;;;;;/m0...0........./s1
InChIKeyVFRVPYRZWRPODL-UCFHLBIUSA-M
XLogP24.08
TPSA552.75 Ų
H-Bond Donors13
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002422.79
LogP ≤ 524.08
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze sodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride with MolForge

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Related Compounds

2-amino-1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;aniline;9H-carbazole-3-carboxylic acid;N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-9H-carbazole-3-carboxamide;methyl 4-anilinobenzoate;methyl 4-bromobenzoate;methyl 9H-carbazole-3-carboxylate;hydrochloride
CID 160500437
(2S)-2-[(3-bromo-1H-indole-2-carbonyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]propanoic acid;(2S)-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]-2-[(3-fluoro-1H-indole-2-carbonyl)amino]propanoic acid;(2S)-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]-2-[[3-(hydroxymethyl)-1H-indole-2-carbonyl]amino]propanoic acid;(2S)-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]-2-[(3-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 163939434
CID 157081339
CID 157081339
sodium;tert-butyl N-[(2S)-1-[[3-(2-cyclopropylethynyl)-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(3-(2-cyclopropylethynyl)-N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide);3-(2-cyclopropylethynyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;ethynylcyclopropane;methane;methyl 3-bromo-6-(4-fluorophenyl)-1H-indole-2-carboxylate;methyl 3-(2-cyclopropylethynyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylate;hydroxide;hydrochloride
CID 157105574
CID 157149630
CID 157149630
sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-(4-hydroxyphenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 6-(4-fluorophenyl)-3-(4-hydroxyphenyl)indole-1,2-dicarboxylate;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-(4-hydroxyphenyl)-1H-indole-2-carboxamide;6-(4-fluorophenyl)-3-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid;(4-hydroxyphenyl)boronic acid;methane;hydroxide;hydrochloride
CID 157195769
sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride
CID 157318909
CID 157397111
CID 157397111
sodium;tert-butyl N-[(2R)-1-[[6-(4-cyanophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;(4-cyanophenyl)boronic acid;bis(6-(4-cyanophenyl)-N-[(2R)-2,5-diaminopentyl]-1H-indole-2-carboxamide);6-(4-cyanophenyl)-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-1H-indole-2-carboxylate;methyl 6-(4-cyanophenyl)-1H-indole-2-carboxylate;palladium;tetrakis(triphenylphosphane);hydroxide;hydrochloride
CID 157576705
sodium;6-bromo-1H-indole-2-carboxylic acid;tert-butyl N-[(6S)-7-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-2,6-dimethylheptan-3-yl]carbamate;N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-1H-indole-2-carboxylate;palladium;thionyl dichloride;tetrakis(triphenylphosphane);hydroxide;hydrochloride
CID 157586862
4-bromo-1H-indole-2-carboxylic acid;tert-butyl 2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)indole-1-carboxylate;tert-butyl 2-ethyl-4-(2-methylprop-1-enyl)indole-1-carboxylate;tert-butyl 2-(hydroxymethyl)-4-(2-methylprop-1-enyl)indole-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(2-methylprop-1-enyl)indole-1,2-dicarboxylate;tert-butyl 4-(2-methylprop-1-enyl)-2-[(3-nitro-2-oxo-1-pyridinyl)methyl]indole-1-carboxylate;methanol;methyl 4-bromo-1H-indole-2-carboxylate;methyl 4-(2-methylprop-1-enyl)-1H-indole-2-carboxylate;3-nitro-1H-pyridin-2-one;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane
CID 157655590
sodium;5-bromo-1H-indole-2-carboxylic acid;tert-butyl N-[(6S)-7-[[5-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-2,6-dimethylheptan-3-yl]carbamate;5-(4-fluorophenyl)-1H-indole-2-carboxylic acid;methane;methanol;methyl 5-bromo-1H-indole-2-carboxylate;methyl 5-(4-fluorophenyl)-1H-indole-2-carboxylate;palladium;thionyl dichloride;tetrakis(triphenylphosphane);hydroxide;hydrochloride
CID 157756640

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride?
The IUPAC name of sodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride (CID 158508233) is sodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride.
What is the SMILES notation for sodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride?
The canonical SMILES for sodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride is C.C.C.C.C.CCCC[C@@H](CN)NC(=O)OC(C)(C)C.CCCC[C@@H](CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccc(C(=O)O)cc1)NC(=O)OC(C)(C)C.COC(=O)c1c(-c2ccc(C(N)=O)cc2)c2ccc(-c3ccc(F)cc3)cc2n1C(=O)OC(C)(C)C.COC(=O)c1c(Br)c2ccc(-c3ccc(F)cc3)cc2n1C(=O)OC(C)(C)C.Cl.NC(=O)c1ccc(-c2c(C(=O)O)[nH]c3cc(-c4ccc(F)cc4)ccc23)cc1.NC(=O)c1ccc(B(O)O)cc1.[Na+].[OH-].
What is the InChIKey of sodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride?
The InChIKey is VFRVPYRZWRPODL-UCFHLBIUSA-M. The full InChI is InChI=1S/C33H36FN3O5.C28H25FN2O5.C22H15FN2O3.C21H19BrFNO4.C11H24N2O2.C7H8BNO3.5CH4.ClH.Na.H2O/c1-5-6-7-25(36-32(41)42-33(2,3)4)19-35-30(38)29-28(21-8-10-22(11-9-21)31(39)40)26-17-14-23(18-27(26)37-29)20-12-15-24(34)16-13-20;1-28(2,3)36-27(34)31-22-15-19(16-9-12-20(29)13-10-16)11-14-21(22)23(24(31)26(33)35-4)17-5-7-18(8-6-17)25(30)32;23-16-8-5-12(6-9-16)15-7-10-17-18(11-15)25-20(22(27)28)19(17)13-1-3-14(4-2-13)21(24)26;1-21(2,3)28-20(26)24-16-11-13(12-5-8-14(23)9-6-12)7-10-15(16)17(22)18(24)19(25)27-4;1-5-6-7-9(8-12)13-10(14)15-11(2,3)4;9-7(10)5-1-3-6(4-2-5)8(11)12;;;;;;;;/h8-18,25,37H,5-7,19H2,1-4H3,(H,35,38)(H,36,41)(H,39,40);5-15H,1-4H3,(H2,30,32);1-11,25H,(H2,24,26)(H,27,28);5-11H,1-4H3;9H,5-8,12H2,1-4H3,(H,13,14);1-4,11-12H,(H2,9,10);5*1H4;1H;;1H2/q;;;;;;;;;;;;+1;/p-1/t25-;;;;9-;;;;;;;;;/m0...0........./s1.
What are the key properties of sodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride?
sodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride has a molecular weight of 2422.79 g/mol, XLogP of 24.08, 27 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 3-(4-carbamoylphenyl)-6-(4-fluorophenyl)indole-1,2-dicarboxylate;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;4-[6-(4-fluorophenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamoyl]-1H-indol-3-yl]benzoic acid;methane;hydroxide;hydrochloride is sourced from PubChem (CID 158508233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).