P2Q
Summary
| Name: | 2-hydroxy-5-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1yl]amino}-L-tyrosine |
| Synonyms: | 3-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1-yl]amino}-6-hydroxy-L-tyrosine |
| Formula: | C20 H22 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 386.398 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E,2S)-1-oxo-5-phenoxy-pent-3-en-2-yl]amino]phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | N[C@@H](Cc1cc(N[C@H](C=O)\C=C\COc2ccccc2)c(O)cc1O)C(O)=O |
| SMILES | CACTVS | 3.352 | N[CH](Cc1cc(N[CH](C=O)C=CCOc2ccccc2)c(O)cc1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)OC/C=C/[C@@H](C=O)Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)OCC=CC(C=O)Nc2cc(c(cc2O)O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C20H22N2O6/c21-16(20(26)27)9-13-10-17(19(25)11-18(13)24)22-14(12-23)5-4-8-28-15-6-2-1-3-7-15/h1-7,10-12,14,16,22,24-25H,8-9,21H2,(H,26,27)/b5-4+/t14-,16-/m0/s1 |
| InChIKey | InChI | 1.03 | KEYWGUHMZKSCTL-QNKPMFPBSA-N |
