J3S
Summary
| Name: | (6S)-6,8-disulfanyloctanamide |
| Formula: | C8 H17 N O S2 |
| Formal charge: | 0 |
| Formula weight: | 207.357 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6S)-6,8-disulfanyloctanamide |
| OpenEye OEToolkits | 2.0.6 | (6~{S})-6,8-bis(sulfanyl)octanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCCCC(CCS)S)(N)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | VLYUGYAKYZETRF-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CCCC[C@H](S)CCS |
| SMILES | CACTVS | 3.385 | NC(=O)CCCC[CH](S)CCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(CCC(=O)N)C[C@@H](CCS)S |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CCC(=O)N)CC(CCS)S |
