UGL
Summary
| Name: | (4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid |
| Formula: | C9 H13 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 211.218 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H13N3O3/c1-6(2-3-8(13)14)11-9(15)7-4-5-10-12-7/h4-6H,2-3H2,1H3,(H,10,12)(H,11,15)(H,13,14)/t6-/m1/s1 |
| InChIKey | InChI | 1.06 | RSKBJUVHKFRVMZ-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CCC(O)=O)NC(=O)c1cc[nH]n1 |
| SMILES | CACTVS | 3.385 | C[CH](CCC(O)=O)NC(=O)c1cc[nH]n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CCC(=O)O)NC(=O)c1cc[nH]n1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCC(=O)O)NC(=O)c1cc[nH]n1 |
