3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid

C139H160Br3N21O18 — CID 158740498

IUPAC3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid
SMILESCC(N)c1ncc(-c2cccc(Br)c2)[nH]1.COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2ncc(-c3cccc(C(=O)O)c3)[nH]2)cc1C.COc1ccc(CN(C(=O)[C@H](Cc2c(C)cc(C(N)=O)cc2C)NC(=O)OC(C)(C)C)[C@@H](C)c2ncc(-c3cccc(Br)c3)[nH]2)cc1C.COc1ccc(CN(C(=O)[C@H](Cc2c(C)cc(C(N)=O)cc2C)NC(=O)OC(C)(C)C)[C@@H](C)c2ncc(-c3cccc(C(=O)O)c3)[nH]2)cc1C.COc1ccc(CNC(C)c2ncc(-c3cccc(Br)c3)[nH]2)cc1C
InChIInChI=1S/C38H45N5O7.C37H44BrN5O5.C33H37N5O5.C20H22BrN3O.C11H12BrN3/c1-21-15-28(33(39)44)16-22(2)29(21)18-30(42-37(48)50-38(5,6)7)35(45)43(20-25-12-13-32(49-8)23(3)14-25)24(4)34-40-19-31(41-34)26-10-9-11-27(17-26)36(46)47;1-21-15-27(33(39)44)16-22(2)29(21)18-30(42-36(46)48-37(5,6)7)35(45)43(20-25-12-13-32(47-8)23(3)14-25)24(4)34-40-19-31(41-34)26-10-9-11-28(38)17-26;1-18-12-25(30(35)39)13-19(2)26(18)15-27(34)32(40)38(17-22-9-10-29(43-5)20(3)11-22)21(4)31-36-16-28(37-31)23-7-6-8-24(14-23)33(41)42;1-13-9-15(7-8-19(13)25-3)11-22-14(2)20-23-12-18(24-20)16-5-4-6-17(21)10-16;1-7(13)11-14-6-10(15-11)8-3-2-4-9(12)5-8/h9-17,19,24,30H,18,20H2,1-8H3,(H2,39,44)(H,40,41)(H,42,48)(H,46,47);9-17,19,24,30H,18,20H2,1-8H3,(H2,39,44)(H,40,41)(H,42,46);6-14,16,21,27H,15,17,34H2,1-5H3,(H2,35,39)(H,36,37)(H,41,42);4-10,12,14,22H,11H2,1-3H3,(H,23,24);2-7H,13H2,1H3,(H,14,15)/t2*24-,30-;21-,27-;;/m000../s1
InChIKeyIMFTUYJTBDJYOC-YRSQFPJESA-N
MW2652.65 g/mol
LogP25.46
Rot. Bonds42

About 3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid

3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid (PubChem CID 158740498) has the molecular formula C139H160Br3N21O18 and a molecular weight of 2652.65 g/mol. Its IUPAC name is 3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid
PubChem CID158740498
Molecular FormulaC139H160Br3N21O18
Molecular Weight2652.65 g/mol
Exact Mass2647.98
IUPAC Name3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid
SMILESCC(N)c1ncc(-c2cccc(Br)c2)[nH]1.COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2ncc(-c3cccc(C(=O)O)c3)[nH]2)cc1C.COc1ccc(CN(C(=O)[C@H](Cc2c(C)cc(C(N)=O)cc2C)NC(=O)OC(C)(C)C)[C@@H](C)c2ncc(-c3cccc(Br)c3)[nH]2)cc1C.COc1ccc(CN(C(=O)[C@H](Cc2c(C)cc(C(N)=O)cc2C)NC(=O)OC(C)(C)C)[C@@H](C)c2ncc(-c3cccc(C(=O)O)c3)[nH]2)cc1C.COc1ccc(CNC(C)c2ncc(-c3cccc(Br)c3)[nH]2)cc1C
InChIInChI=1S/C38H45N5O7.C37H44BrN5O5.C33H37N5O5.C20H22BrN3O.C11H12BrN3/c1-21-15-28(33(39)44)16-22(2)29(21)18-30(42-37(48)50-38(5,6)7)35(45)43(20-25-12-13-32(49-8)23(3)14-25)24(4)34-40-19-31(41-34)26-10-9-11-27(17-26)36(46)47;1-21-15-27(33(39)44)16-22(2)29(21)18-30(42-36(46)48-37(5,6)7)35(45)43(20-25-12-13-32(47-8)23(3)14-25)24(4)34-40-19-31(41-34)26-10-9-11-28(38)17-26;1-18-12-25(30(35)39)13-19(2)26(18)15-27(34)32(40)38(17-22-9-10-29(43-5)20(3)11-22)21(4)31-36-16-28(37-31)23-7-6-8-24(14-23)33(41)42;1-13-9-15(7-8-19(13)25-3)11-22-14(2)20-23-12-18(24-20)16-5-4-6-17(21)10-16;1-7(13)11-14-6-10(15-11)8-3-2-4-9(12)5-8/h9-17,19,24,30H,18,20H2,1-8H3,(H2,39,44)(H,40,41)(H,42,48)(H,46,47);9-17,19,24,30H,18,20H2,1-8H3,(H2,39,44)(H,40,41)(H,42,46);6-14,16,21,27H,15,17,34H2,1-5H3,(H2,35,39)(H,36,37)(H,41,42);4-10,12,14,22H,11H2,1-3H3,(H,23,24);2-7H,13H2,1H3,(H,14,15)/t2*24-,30-;21-,27-;;/m000../s1
InChIKeyIMFTUYJTBDJYOC-YRSQFPJESA-N
XLogP25.46
TPSA585.85 Ų
H-Bond Donors15
H-Bond Acceptors24
Rotatable Bonds42
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002652.65
LogP ≤ 525.46
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

Analyze 3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid?
The IUPAC name of 3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid (CID 158740498) is 3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid.
What is the SMILES notation for 3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid?
The canonical SMILES for 3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid is CC(N)c1ncc(-c2cccc(Br)c2)[nH]1.COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2ncc(-c3cccc(C(=O)O)c3)[nH]2)cc1C.COc1ccc(CN(C(=O)[C@H](Cc2c(C)cc(C(N)=O)cc2C)NC(=O)OC(C)(C)C)[C@@H](C)c2ncc(-c3cccc(Br)c3)[nH]2)cc1C.COc1ccc(CN(C(=O)[C@H](Cc2c(C)cc(C(N)=O)cc2C)NC(=O)OC(C)(C)C)[C@@H](C)c2ncc(-c3cccc(C(=O)O)c3)[nH]2)cc1C.COc1ccc(CNC(C)c2ncc(-c3cccc(Br)c3)[nH]2)cc1C.
What is the InChIKey of 3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid?
The InChIKey is IMFTUYJTBDJYOC-YRSQFPJESA-N. The full InChI is InChI=1S/C38H45N5O7.C37H44BrN5O5.C33H37N5O5.C20H22BrN3O.C11H12BrN3/c1-21-15-28(33(39)44)16-22(2)29(21)18-30(42-37(48)50-38(5,6)7)35(45)43(20-25-12-13-32(49-8)23(3)14-25)24(4)34-40-19-31(41-34)26-10-9-11-27(17-26)36(46)47;1-21-15-27(33(39)44)16-22(2)29(21)18-30(42-36(46)48-37(5,6)7)35(45)43(20-25-12-13-32(47-8)23(3)14-25)24(4)34-40-19-31(41-34)26-10-9-11-28(38)17-26;1-18-12-25(30(35)39)13-19(2)26(18)15-27(34)32(40)38(17-22-9-10-29(43-5)20(3)11-22)21(4)31-36-16-28(37-31)23-7-6-8-24(14-23)33(41)42;1-13-9-15(7-8-19(13)25-3)11-22-14(2)20-23-12-18(24-20)16-5-4-6-17(21)10-16;1-7(13)11-14-6-10(15-11)8-3-2-4-9(12)5-8/h9-17,19,24,30H,18,20H2,1-8H3,(H2,39,44)(H,40,41)(H,42,48)(H,46,47);9-17,19,24,30H,18,20H2,1-8H3,(H2,39,44)(H,40,41)(H,42,46);6-14,16,21,27H,15,17,34H2,1-5H3,(H2,35,39)(H,36,37)(H,41,42);4-10,12,14,22H,11H2,1-3H3,(H,23,24);2-7H,13H2,1H3,(H,14,15)/t2*24-,30-;21-,27-;;/m000../s1.
What are the key properties of 3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid?
3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid has a molecular weight of 2652.65 g/mol, XLogP of 25.46, 42 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S)-1-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;3-[2-[(1S)-1-[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxy-3-methylphenyl)methyl]amino]ethyl]-1H-imidazol-5-yl]benzoic acid is sourced from PubChem (CID 158740498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).