RSM
Summary
| Name: | (2S)-2-(acetylamino)-N-methyl-4-[(R)-methylsulfinyl]butanamide |
| Formula: | C8 H16 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 220.289 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-(acetylamino)-N-methyl-4-[(R)-methylsulfinyl]butanamide |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-acetamido-N-methyl-4-[(R)-methylsulfinyl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)NC)CCS(=O)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CNC(=O)[C@H](CC[S@@](C)=O)NC(C)=O |
| SMILES | CACTVS | 3.341 | CNC(=O)[CH](CC[S](C)=O)NC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H](CC[S@](=O)C)C(=O)NC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC(CCS(=O)C)C(=O)NC |
| InChI | InChI | 1.03 | InChI=1S/C8H16N2O3S/c1-6(11)10-7(8(12)9-2)4-5-14(3)13/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11)/t7-,14+/m0/s1 |
| InChIKey | InChI | 1.03 | HOKSMYPIXLKSMM-JKYUHCHBSA-N |
