TYY
Summary
| Name: | 3-(4-HYDROXY-3-IMINO-6-OXO-CYCLOHEXA-1,4-DIENYL)-ALANINE |
| Formula: | C9 H10 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 210.187 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[(3Z)-4-hydroxy-3-imino-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(4-hydroxy-3-imino-6-oxo-1-cyclohexa-1,4-dienyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C=C(O)C(=[N@H])C=C1CC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC1=CC(=N)C(=CC1=O)O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC1=CC(=N)C(=CC1=O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)C=C(C1=N)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)C=C(C1=N)O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,10,13H,2,11H2,(H,14,15)/b10-5-/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | FKLZKBKFGLLJJV-HPWAZMHGSA-N |
