HXO
Summary
| Name: | (2S)-2-acetamido-N-[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide |
| Formula: | C14 H20 N4 O6 S |
| Formal charge: | 0 |
| Formula weight: | 372.397 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-acetamido-~{N}-[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H20N4O6S/c1-8(13(20)18-22)16-14(21)12(17-9(2)19)7-10-3-5-11(6-4-10)25(15,23)24/h3-6,8,12,22H,7H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)(H2,15,23,24)/t8-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | XXSSAAVFRHGJCH-PELKAZGASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)[C@H](Cc1ccc(cc1)[S](N)(=O)=O)NC(C)=O)C(=O)NO |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)[CH](Cc1ccc(cc1)[S](N)(=O)=O)NC(C)=O)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C(=O)NO)NC(=O)[C@H](Cc1ccc(cc1)S(=O)(=O)N)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)NO)NC(=O)C(Cc1ccc(cc1)S(=O)(=O)N)NC(=O)C |
