2KZ
Summary
| Name: | 2-amino maleic acid |
| Synonyms: | (2E)-2-aminobut-2-enedioic acid |
| Formula: | C4 H5 N O4 |
| Formal charge: | 0 |
| Formula weight: | 131.087 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-2-aminobut-2-enedioic acid |
| OpenEye OEToolkits | 1.9.2 | (E)-2-azanylbut-2-enedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)\C=C(\N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1+ |
| InChIKey | InChI | 1.03 | ABZHGLSYGDUSDL-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N/C(=C/C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(=C(\C(=O)O)/N)\C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(=C(C(=O)O)N)C(=O)O |
