| PDB CCD ID: | 4OO |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C9 H11 N4 O2 |
| InChI: | 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: | PELCQEFOHMFUSP-QMMMGPOBSA-O |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | c1cc(ccc1CC(C(=O)O)N)N=[N+]=N | | OpenEye OEToolkits 1.9.2 | c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=N | | CACTVS 3.385 | N[CH](Cc1ccc(cc1)N=[N+]=N)C(O)=O | | CACTVS 3.385 | N[C@@H](Cc1ccc(cc1)N=[N+]=N)C(O)=O | | ACDLabs 12.01 | N(=[N+]=N)\c1ccc(CC(C(O)=O)N)cc1 |
|
| Name: | 4-triaza-1,2-dien-2-ium-1-yl-L-phenylalanine |
| ZINC: | ZINC000263620881 |
zhanggroup.org