4OO
Summary
| Name: | 4-triaza-1,2-dien-2-ium-1-yl-L-phenylalanine |
| Formula: | C9 H11 N4 O2 |
| Formal charge: | 1 |
| Formula weight: | 207.209 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-triaza-1,2-dien-2-ium-1-yl-L-phenylalanine |
| OpenEye OEToolkits | 1.9.2 | azanylidene-[4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenyl]imino-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(=[N+]=N)\c1ccc(CC(C(O)=O)N)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H10N4O2/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11/h1-4,8,11H,5,10H2/p+1/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | PELCQEFOHMFUSP-QMMMGPOBSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccc(cc1)N=[N+]=N)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(cc1)N=[N+]=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CC(C(=O)O)N)N=[N+]=N |
