NIG
Summary
| Name: | N-(IMINOMETHYL)-L-GLUTAMIC ACID |
| Synonyms: | N-FORMIMINO-L-GLUTAMATE |
| Formula: | C6 H10 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 174.155 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(Z)-iminomethyl]-L-glutamic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-methanimidamidopentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCC(NC=[N@H])C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC[C@H](NC=N)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)CC[CH](NC=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C\N[C@@H](CCC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=CNC(CCC(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | NRXIKWMTVXPVEF-BYPYZUCNSA-N |
