85G
Summary
| Name: | N-ethyl-L-glutamine |
| Formula: | C7 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 174.198 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-ethyl-L-glutamine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-5-(ethylamino)-5-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(O)=O)CCC(NCC)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | DATAGRPVKZEWHA-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)CC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CCNC(=O)CC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCNC(=O)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCNC(=O)CCC(C(=O)O)N |
