QJP
Summary
| Name: | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide |
| Formula: | C15 H23 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 309.427 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-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-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}-[[(1~{R},2~{R})-2-methylcyclopropyl]methyl]cyclopropane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C1CC1C32COCC3CSC(N)=N2)NCC4C(C)C4 |
| InChI | InChI | 1.03 | InChI=1S/C15H23N3O2S/c1-8-2-9(8)4-17-13(19)11-3-12(11)15-7-20-5-10(15)6-21-14(16)18-15/h8-12H,2-7H2,1H3,(H2,16,18)(H,17,19)/t8-,9+,10+,11-,12-,15+/m1/s1 |
| InChIKey | InChI | 1.03 | FKPBYKKZZCOMKI-MIDHOLSSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N |
| SMILES | CACTVS | 3.385 | C[CH]1C[CH]1CNC(=O)[CH]2C[CH]2[C]34COC[CH]3CSC(=N4)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC1CNC(=O)C2CC2C34COCC3CSC(=N4)N |
