A1JNQ
Summary
| Name: | [(2~{S},3~{S})-3-[[2-(2-azanylidene-1,3-thiazolidin-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
| Formula: | C15 H23 N5 O8 S2 |
| Formal charge: | 0 |
| Formula weight: | 465.502 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-[(2-methylpropan-2-yl)oxy]-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/C15H23N5O8S2/c1-8(20-30(24,25)26)9(5-21)17-13(23)12(10-7-29-14(16)18-10)19-27-6-11(22)28-15(2,3)4/h5,7-9,20H,6H2,1-4H3,(H2,16,18)(H,17,23)(H,24,25,26)/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.06 | VKHLDMKKUGJGSJ-DTWKUNHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N[S](O)(=O)=O)[C@H](NC(=O)C(=N/OCC(=O)OC(C)(C)C)\c1csc(N)n1)C=O |
| SMILES | CACTVS | 3.385 | C[CH](N[S](O)(=O)=O)[CH](NC(=O)C(=NOCC(=O)OC(C)(C)C)c1csc(N)n1)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]([C@@H](C=O)NC(=O)C(=NOCC(=O)OC(C)(C)C)c1csc(n1)N)NS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C=O)NC(=O)C(=NOCC(=O)OC(C)(C)C)c1csc(n1)N)NS(=O)(=O)O |
