3I4
Summary
| Name: | (2S)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide |
| Formula: | C12 H18 N4 O6 S |
| Formal charge: | 0 |
| Formula weight: | 346.36 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H18N4O6S/c13-12(19)10(6-17)16-11(18)5-15-22-7-8-1-3-9(4-2-8)23(14,20)21/h1-4,10,15,17H,5-7H2,(H2,13,19)(H,16,18)(H2,14,20,21)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | HDEXNCBCWPNBNC-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H](CO)NC(=O)CNOCc1ccc(cc1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | NC(=O)[CH](CO)NC(=O)CNOCc1ccc(cc1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CONCC(=O)N[C@@H](CO)C(=O)N)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CONCC(=O)NC(CO)C(=O)N)S(=O)(=O)N |
