A1JNU
Summary
| Name: | [(2~{S},3~{S})-4-oxidanylidene-3-(2-phenylethanoylamino)butan-2-yl]sulfamic acid |
| Formula: | C12 H16 N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 300.331 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S})-4-oxidanylidene-3-(2-phenylethanoylamino)butan-2-yl]sulfamic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H16N2O5S/c1-9(14-20(17,18)19)11(8-15)13-12(16)7-10-5-3-2-4-6-10/h2-6,8-9,11,14H,7H2,1H3,(H,13,16)(H,17,18,19)/t9-,11+/m0/s1 |
| InChIKey | InChI | 1.06 | MXOSDGDTFWBXRG-GXSJLCMTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N[S](O)(=O)=O)[C@H](NC(=O)Cc1ccccc1)C=O |
| SMILES | CACTVS | 3.385 | C[CH](N[S](O)(=O)=O)[CH](NC(=O)Cc1ccccc1)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]([C@@H](C=O)NC(=O)Cc1ccccc1)NS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C=O)NC(=O)Cc1ccccc1)NS(=O)(=O)O |
