A1JNP
Summary
| Name: | [(2~{S},3~{S})-3-[[(2~{Z})-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
| Formula: | C10 H16 N6 O6 S2 |
| Formal charge: | 0 |
| Formula weight: | 380.401 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S})-3-[[(2~{Z})-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H16N6O6S2/c1-3-22-14-7(8-13-10(11)23-15-8)9(18)12-6(4-17)5(2)16-24(19,20)21/h4-6,16H,3H2,1-2H3,(H,12,18)(H2,11,13,15)(H,19,20,21)/b14-7-/t5-,6+/m0/s1 |
| InChIKey | InChI | 1.06 | YJODLKIDYNCMJI-SVWSLXTCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCO\N=C(/C(=O)N[C@H](C=O)[C@H](C)N[S](O)(=O)=O)c1nsc(N)n1 |
| SMILES | CACTVS | 3.385 | CCON=C(C(=O)N[CH](C=O)[CH](C)N[S](O)(=O)=O)c1nsc(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCO/N=C(/c1nc(sn1)N)\C(=O)N[C@H](C=O)[C@H](C)NS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCON=C(c1nc(sn1)N)C(=O)NC(C=O)C(C)NS(=O)(=O)O |
