A5N
Summary
| Name: | O-carboxy-4-imino-L-homoserine |
| Formula: | C5 H8 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 176.127 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | O-carboxy-4-imino-L-homoserine |
| OpenEye OEToolkits | 1.6.1 | (2S)-2-amino-4-carboxyoxy-4-imino-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CC(=[N@H])OC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | N[C@@H](CC(=N)OC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.352 | N[CH](CC(=N)OC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | [H]/N=C(\C[C@@H](C(=O)O)N)/OC(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | [H]N=C(CC(C(=O)O)N)OC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H8N2O5/c6-2(4(8)9)1-3(7)12-5(10)11/h2,7H,1,6H2,(H,8,9)(H,10,11)/b7-3+/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | CBFIQFJPESIKON-PYTJRISJSA-N |
