54S
N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide
Find entries where: 54S
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
|---|---|
| Name | N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide |
| Identifiers | 3-[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanoylamino]propanoylamino]benzoic acid |
| Formula | C26 H26 Cl N3 O4 |
| Molecular Weight | 479.955 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCC(=O)Nc3cccc(c3)C(=O)O |
| InChI | InChI=1S/C26H26ClN3O4/c27-23-15-18(9-10-22(23)19-5-2-1-3-6-19)17-28-13-11-24(31)29-14-12-25(32)30-21-8-4-7-20(16-21)26(33)34/h1-10,15-16,28H,11-14,17H2,(H,29,31)(H,30,32)(H,33,34) |
| InChIKey | NZDQDPKZQDWCOF-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 60 |
| Chiral Atom Count | 0 |
| Bond Count | 62 |
| Aromatic Bond Count | 18 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 121232389 |
| ChEMBL | CHEMBL4070389 |
