04U
Summary
| Name: | azanylidene-[(3S,5S)-5-carboxypyrrolidin-3-yl]imino-azanium |
| Formula: | C5 H9 N4 O2 |
| Formal charge: | 1 |
| Formula weight: | 157.151 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-4-triaza-1,2-dien-2-ium-1-yl-L-proline |
| OpenEye OEToolkits | 1.9.2 | azanylidene-[(3S,5S)-5-carboxypyrrolidin-3-yl]imino-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NCC(/N=[N+]=[N@H])C1 |
| InChI | InChI | 1.03 | InChI=1S/C5H8N4O2/c6-9-8-3-1-4(5(10)11)7-2-3/h3-4,6-7H,1-2H2/p+1/t3-,4-/m0/s1 |
| InChIKey | InChI | 1.03 | QHXBBWVACLXCJH-IMJSIDKUSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1C[C@@H](CN1)N=[N+]=N |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1C[CH](CN1)N=[N+]=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1[C@@H](CN[C@@H]1C(=O)O)N=[N+]=N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1C(CNC1C(=O)O)N=[N+]=N |
