A1JNT
Summary
| Name: | [(2~{S},3~{S})-3-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methoxy-2-oxidanylidene-ethoxy)imino-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
| Formula: | C12 H17 N5 O8 S2 |
| Formal charge: | 0 |
| Formula weight: | 423.422 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S})-3-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methoxy-2-oxidanylidene-ethoxy)imino-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H17N5O8S2/c1-6(17-27(21,22)23)7(3-18)14-11(20)10(8-5-26-12(13)15-8)16-25-4-9(19)24-2/h3,5-7,17H,4H2,1-2H3,(H2,13,15)(H,14,20)(H,21,22,23)/t6-,7+/m0/s1 |
| InChIKey | InChI | 1.06 | JSCREYWKSPYSLM-NKWVEPMBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CO/N=C(/C(=O)N[C@H](C=O)[C@H](C)N[S](O)(=O)=O)c1csc(N)n1 |
| SMILES | CACTVS | 3.385 | COC(=O)CON=C(C(=O)N[CH](C=O)[CH](C)N[S](O)(=O)=O)c1csc(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]([C@@H](C=O)NC(=O)C(=NOCC(=O)OC)c1csc(n1)N)NS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C=O)NC(=O)C(=NOCC(=O)OC)c1csc(n1)N)NS(=O)(=O)O |
