4LZ
Summary
| Name: | O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine |
| Formula: | C11 H15 N4 O3 |
| Formal charge: | 1 |
| Formula weight: | 251.262 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine |
| OpenEye OEToolkits | 1.7.6 | azanylidene-[2-[4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenoxy]ethylimino]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(N)Cc1ccc(OCC\N=[N+]=N)cc1)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H14N4O3/c12-10(11(16)17)7-8-1-3-9(4-2-8)18-6-5-14-15-13/h1-4,10,13H,5-7,12H2/p+1/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | VEKASIBNRYZXIE-JTQLQIEISA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccc(OCCN=[N+]=N)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(OCCN=[N+]=N)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C[C@@H](C(=O)O)N)OCCN=[N+]=N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CC(C(=O)O)N)OCCN=[N+]=N |
