ET5
Summary
| Name: | (3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid |
| Formula: | C10 H14 N4 O7 S |
| Formal charge: | 0 |
| Formula weight: | 334.306 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H14N4O7S/c11-2-6-1-7(9-3-12-5-20-9)8(4-14(6)10(15)16)13-21-22(17,18)19/h1,3,5-6,8,13H,2,4,11H2,(H,15,16)(H,17,18,19)/t6-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | ABKLGTMGWHFUKR-XPUUQOCRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@@H]1C=C([C@H](CN1C(O)=O)NO[S](O)(=O)=O)c2ocnc2 |
| SMILES | CACTVS | 3.385 | NC[CH]1C=C([CH](CN1C(O)=O)NO[S](O)(=O)=O)c2ocnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(ocn1)C2=C[C@H](N(C[C@@H]2NOS(=O)(=O)O)C(=O)O)CN |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(ocn1)C2=CC(N(CC2NOS(=O)(=O)O)C(=O)O)CN |
