Q7C
Summary
| Name: | N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide |
| Formula: | C9 H16 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 248.299 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide |
| OpenEye OEToolkits | 2.0.7 | 3-[[(3~{S})-1,1-bis(oxidanylidene)thiolan-3-yl]-ethanoyl-amino]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S1(=O)CCC(C1)N(CCC(N)=O)C(C)=O |
| InChI | InChI | 1.06 | InChI=1S/C9H16N2O4S/c1-7(12)11(4-2-9(10)13)8-3-5-16(14,15)6-8/h8H,2-6H2,1H3,(H2,10,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | UAJGNWGHSFBXPE-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N(CCC(N)=O)[C@H]1CC[S](=O)(=O)C1 |
| SMILES | CACTVS | 3.385 | CC(=O)N(CCC(N)=O)[CH]1CC[S](=O)(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N(CCC(=O)N)[C@H]1CCS(=O)(=O)C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N(CCC(=O)N)C1CCS(=O)(=O)C1 |
