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 |