| PDB CCD ID: | 0PL |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H23 Cl N4 O4 S |
| InChI: | InChI=1S/C24H23ClN4O4S/c1-28(34(32,33)19-6-4-3-5-7-19)15-18-12-16(8-10-21(18)25)20(14-24(30)31)17-9-11-23-22(13-17)26-27-29(23)2/h3-13,20H,14-15H2,1-2H3,(H,30,31)/t20-/m0/s1 |
| InChIKey: | NICLDNFOUWEYPY-FQEVSTJZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN(Cc1cc(ccc1Cl)[CH](CC(O)=O)c2ccc3n(C)nnc3c2)[S](=O)(=O)c4ccccc4 | | CACTVS 3.385 | CN(Cc1cc(ccc1Cl)[C@H](CC(O)=O)c2ccc3n(C)nnc3c2)[S](=O)(=O)c4ccccc4 | | OpenEye OEToolkits 1.7.6 | Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)c4ccccc4)Cl | | OpenEye OEToolkits 1.7.6 | Cn1c2ccc(cc2nn1)C(CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)c4ccccc4)Cl |
|
| Name: | (3S)-3-{4-Chloro-3-[(N-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acid |
| ChEMBL: | CHEMBL3818085 |
| ZINC: | ZINC000584904656 |
umich.edu