429
2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER
Find entries where: 429
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER |
| Synonyms | COMPOUND 20 |
| Identifiers | 2-[4-[(2S)-2-acetamido-3-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)butylamino]-3-oxo-propyl]-2-hydroxy-phenoxy]ethanoic acid |
| Formula | C25 H30 N2 O10 |
| Molecular Weight | 518.513 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(=O)N[C@@H](Cc1ccc(c(c1)O)OCC(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O |
| InChI | InChI=1S/C25H30N2O10/c1-15(28)27-17(12-16-8-9-20(19(30)13-16)37-14-22(31)32)24(33)26-10-3-4-11-36-21-7-5-6-18(29)23(21)25(34)35-2/h5-9,13,17,29-30H,3-4,10-12,14H2,1-2H3,(H,26,33)(H,27,28)(H,31,32)/t17-/m0/s1 |
| InChIKey | QEANZBIJPCAREV-KRWDZBQOSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 67 |
| Chiral Atom Count | 1 |
| Bond Count | 68 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 448214 |
| ChEMBL | CHEMBL341103 |
