0WZ
Summary
| Name: | 3-(1H-pyrazol-1-yl)-L-tyrosine |
| Formula: | C12 H13 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 247.25 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(1H-pyrazol-1-yl)-L-tyrosine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-3-(4-oxidanyl-3-pyrazol-1-yl-phenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1ccc(O)c(c1)n2nccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H13N3O3/c13-9(12(17)18)6-8-2-3-11(16)10(7-8)15-5-1-4-14-15/h1-5,7,9,16H,6,13H2,(H,17,18)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | OYFZMNFXVOYLDW-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccc(O)c(c1)n2cccn2)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccc(O)c(c1)n2cccn2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cnn(c1)c2cc(ccc2O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cnn(c1)c2cc(ccc2O)CC(C(=O)O)N |
