PDB CCD ID: | 1T5 | ||||||||||||
Number of entries in BioLiP: | 1 | ||||||||||||
Chemical formula: | C36 H37 N5 O4 | ||||||||||||
InChI: | 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 | ||||||||||||
InChIKey: | PDUMJXCNOKHQKH-SVXHESJVSA-N | ||||||||||||
SMILES: |
| ||||||||||||
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 | ||||||||||||
ChEMBL: | CHEMBL3127491 |