A1JNN
Summary
| Name: | [(2~{S},3~{S})-3-[2-[2,6-bis(chloranyl)phenyl]ethanoylamino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
| Formula: | C12 H14 Cl2 N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 369.221 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S})-3-[2-[2,6-bis(chloranyl)phenyl]ethanoylamino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14Cl2N2O5S/c1-7(16-22(19,20)21)11(6-17)15-12(18)5-8-9(13)3-2-4-10(8)14/h2-4,6-7,11,16H,5H2,1H3,(H,15,18)(H,19,20,21)/t7-,11+/m0/s1 |
| InChIKey | InChI | 1.06 | XCZHYYKMXAQGGY-WRWORJQWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N[S](O)(=O)=O)[C@H](NC(=O)Cc1c(Cl)cccc1Cl)C=O |
| SMILES | CACTVS | 3.385 | C[CH](N[S](O)(=O)=O)[CH](NC(=O)Cc1c(Cl)cccc1Cl)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]([C@@H](C=O)NC(=O)Cc1c(cccc1Cl)Cl)NS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C=O)NC(=O)Cc1c(cccc1Cl)Cl)NS(=O)(=O)O |
