A1JNR
Summary
| Name: | [(2~{S},3~{S})-3-[[(2~{R})-2-methoxy-2-phenyl-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
| Formula: | C13 H18 N2 O6 S |
| Formal charge: | 0 |
| Formula weight: | 330.357 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S})-3-[[(2~{R})-2-methoxy-2-phenyl-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H18N2O6S/c1-9(15-22(18,19)20)11(8-16)14-13(17)12(21-2)10-6-4-3-5-7-10/h3-9,11-12,15H,1-2H3,(H,14,17)(H,18,19,20)/t9-,11+,12+/m0/s1 |
| InChIKey | InChI | 1.06 | WRDCCGAGZXRUEI-MVWJERBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H](C(=O)N[C@H](C=O)[C@H](C)N[S](O)(=O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | CO[CH](C(=O)N[CH](C=O)[CH](C)N[S](O)(=O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]([C@@H](C=O)NC(=O)[C@@H](c1ccccc1)OC)NS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C=O)NC(=O)C(c1ccccc1)OC)NS(=O)(=O)O |
