1NJ
2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
Find entries where: 1NJ
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid |
Identifiers | 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[[(2S)-3,3-dimethyl-1-oxidanyl-butan-2-yl]carbamoyl]benzoic acid |
Formula | C28 H31 N5 O6 |
Molecular Weight | 533.576 |
Type | NON-POLYMER |
Isomeric SMILES | [H]/N=C(\c1ccc(cc1)NC(=O)c2c(ccc(n2)OC)c3ccc(cc3C(=O)O)C(=O)N[C@H](CO)C(C)(C)C)/N |
InChI | InChI=1S/C28H31N5O6/c1-28(2,3)21(14-34)32-25(35)16-7-10-18(20(13-16)27(37)38)19-11-12-22(39-4)33-23(19)26(36)31-17-8-5-15(6-9-17)24(29)30/h5-13,21,34H,14H2,1-4H3,(H3,29,30)(H,31,36)(H,32,35)(H,37,38)/t21-/m1/s1 |
InChIKey | KPACBFJTZSMBKD-OAQYLSRUSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 70 |
Chiral Atom Count | 1 |
Bond Count | 72 |
Aromatic Bond Count | 18 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL2417904 |
PubChem | 6102731 |
ChEMBL | CHEMBL2417904 |