UN7
3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID
Find entries where: UN7
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID |
| Identifiers | 3-[3-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxo-propyl]benzoic acid |
| Formula | C21 H23 N3 O7 S |
| Molecular Weight | 461.488 |
| Type | NON-POLYMER |
| Isomeric SMILES | CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O)O |
| InChI | InChI=1S/C21H23N3O7S/c1-22-20(26)18-11-14-6-7-17(23-32(29,30)31)10-16(14)12-24(18)19(25)8-5-13-3-2-4-15(9-13)21(27)28/h2-4,6-7,9-10,18,23H,5,8,11-12H2,1H3,(H,22,26)(H,27,28)(H,29,30,31)/t18-/m0/s1 |
| InChIKey | AQIMGTQPGXDDPP-SFHVURJKSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 55 |
| Chiral Atom Count | 1 |
| Bond Count | 57 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 5327158 |
| ChEMBL | CHEMBL205997 |
