DV6
Summary
| Name: | [(2S)-3-[(2S)-2-(disulfanyl)-2,3-dihydro-1H-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium |
| Formula: | C9 H18 N3 O2 S2 |
| Formal charge: | 1 |
| Formula weight: | 264.388 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S})-3-[(2~{S})-2-(disulfanyl)-2,3-dihydro-1~{H}-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H17N3O2S2/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7,9-11H,4H2,1-3H3,(H-,13,14,15)/p+1/t7-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | XGMLHKDWXWTLLL-CBAPKCEASA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[N+](C)(C)[C@@H](CC1=CN[C@@H](N1)SS)C(O)=O |
| SMILES | CACTVS | 3.385 | C[N+](C)(C)[CH](CC1=CN[CH](N1)SS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[N+](C)(C)[C@@H](CC1=CN[C@@H](N1)SS)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C[N+](C)(C)C(CC1=CNC(N1)SS)C(=O)O |
