QJV
Summary
| Name: | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide |
| Formula: | C14 H23 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 297.416 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{R})-2-[(4~{a}~{S},7~{a}~{R})-2-azanyl-4,4~{a},5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7~{a}-yl]-~{N}-butyl-cyclopropane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C3C(C12C(CSC(=N1)N)COC2)C3)NCCCC |
| InChI | InChI | 1.03 | InChI=1S/C14H23N3O2S/c1-2-3-4-16-12(18)10-5-11(10)14-8-19-6-9(14)7-20-13(15)17-14/h9-11H,2-8H2,1H3,(H2,15,17)(H,16,18)/t9-,10+,11+,14-/m0/s1 |
| InChIKey | InChI | 1.03 | WVAFMFLAAGBATC-OXIWPEFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCNC(=O)[C@@H]1C[C@H]1[C@]23COC[C@H]2CSC(=N3)N |
| SMILES | CACTVS | 3.385 | CCCCNC(=O)[CH]1C[CH]1[C]23COC[CH]2CSC(=N3)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCNC(=O)[C@@H]1C[C@H]1[C@]23COC[C@H]2CSC(=N3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCNC(=O)C1CC1C23COCC2CSC(=N3)N |
