CXA
Summary
| Name: | PHENYLALANINE-N-SULFONAMIDE |
| Formula: | C9 H12 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 244.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-sulfamoyl-L-phenylalanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-3-phenyl-2-(sulfamoylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(NC(C(=O)O)Cc1ccccc1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[S](=O)(=O)N[CH](Cc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@@H](C(=O)O)NS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(C(=O)O)NS(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | PHGMHLLGXKQIDY-QMMMGPOBSA-N |
