3K0
Summary
| Name: | N-sulfamoyl-L-glutamic acid |
| Formula: | C5 H10 N2 O6 S |
| Formal charge: | 0 |
| Formula weight: | 226.208 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-sulfamoyl-L-glutamic acid |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-(sulfamoylamino)pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(NC(C(=O)O)CCC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H10N2O6S/c6-14(12,13)7-3(5(10)11)1-2-4(8)9/h3,7H,1-2H2,(H,8,9)(H,10,11)(H2,6,12,13)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | ZYYFXKZXQCQRTJ-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)N[C@@H](CCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)N[CH](CCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CC(=O)O)C(C(=O)O)NS(=O)(=O)N |
