Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5HJQ7
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| Ligand Name |
3'-[(2s,4r)-6-Carbamimidoyl-4-Methyl-4-Phenyl-1,2,3,4-Tetrahydroquinolin-2-Yl]-4-Carbamoyl-5'-[(3-Methylbutanoyl)amino]biphenyl-2-Carboxylic Acid
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| Synonyms |
BMS-654457; CHEMBL3127491; 3'-[(2s,4r)-6-Carbamimidoyl-4-Methyl-4-Phenyl-1,2,3,4-Tetrahydroquinolin-2-Yl]-4-Carbamoyl-5'-[(3-Methylbutanoyl)amino]biphenyl-2-Carboxylic Acid; SCHEMBL4936907; BDBM50448583; HY-12631; CS-0012110; Q27452422; 1T5; 3'-(4alpha-Phenyl-4-methyl-6-amidino-1,2,3,4-tetrahydroquinoline-2alpha-yl)-5'-[(3-methylbutyryl)amino]-4-carbamoylbiphenyl-2-carboxylic acid
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| Structure |
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Download2D MOL |
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| Formula |
C36H37N5O4
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| Canonical SMILES |
CC(C)CC(=O)NC1=CC(=CC(=C1)C2CC(C3=C(N2)C=CC(=C3)C(=N)N)(C)C4=CC=CC=C4)C5=C(C=C(C=C5)C(=O)N)C(=O)O
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| InChI |
1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)/t31-,36+/m0/s1
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| InChIKey |
PDUMJXCNOKHQKH-SVXHESJVSA-N
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| PubChem Compound ID | ||||
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