IBA
4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
Find entries where: IBA
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID |
| Synonyms | 1-(4-CARBOXY-2-(3-PENTYLAMINO)PHENYL)-5-AMINOMETHYL-5-HYDROXYMETHYL-PYRROLIDIN-2-ONE |
| Identifiers | 4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid |
| Formula | C18 H27 N3 O4 |
| Molecular Weight | 349.425 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCC(CC)Nc1cc(ccc1N2C(=O)CC[C@@]2(CN)CO)C(=O)O |
| InChI | InChI=1S/C18H27N3O4/c1-3-13(4-2)20-14-9-12(17(24)25)5-6-15(14)21-16(23)7-8-18(21,10-19)11-22/h5-6,9,13,20,22H,3-4,7-8,10-11,19H2,1-2H3,(H,24,25)/t18-/m1/s1 |
| InChIKey | ZEZFFRWWHKSMEB-GOSISDBHSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 52 |
| Chiral Atom Count | 1 |
| Bond Count | 53 |
| Aromatic Bond Count | 6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 449034 |
