13M
(2S)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid
Find entries where: 13M
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (2S)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid |
| Identifiers | (2S)-2-[[4-methoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid |
| Formula | C30 H27 N O4 |
| Molecular Weight | 465.54 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)OC)C(=O)O |
| InChI | InChI=1S/C30H27NO4/c1-3-19(30(33)34)15-18-7-14-26(35-2)23(16-18)17-31-29(32)25-13-11-22-9-8-20-5-4-6-21-10-12-24(25)28(22)27(20)21/h4-14,16,19H,3,15,17H2,1-2H3,(H,31,32)(H,33,34)/t19-/m0/s1 |
| InChIKey | WXYOTFKPGLXJBW-IBGZPJMESA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 62 |
| Chiral Atom Count | 1 |
| Bond Count | 66 |
| Aromatic Bond Count | 25 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL1956149 |
| PubChem | 25112371 |
| ChEMBL | CHEMBL1956149 |
