F7N
Summary
| Name: | [(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium |
| Formula: | C24 H35 F3 N3 O3 |
| Formal charge: | 1 |
| Formula weight: | 470.548 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H34F3N3O3/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3/p+1/t18-,20+,21-,23+/m1/s1 |
| InChIKey | InChI | 1.03 | MTMDXAIUENDNDL-RJSMDTJLSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]2CC[C@](C2)(C(C)C)C(=O)N3CCc4ncc(cc4C3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CO[CH]1COCC[CH]1[NH2+][CH]2CC[C](C2)(C(C)C)C(=O)N3CCc4ncc(cc4C3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)[C@@]1(CC[C@H](C1)[NH2+][C@H]2CCOC[C@H]2OC)C(=O)N3CCc4c(cc(cn4)C(F)(F)F)C3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)C1(CCC(C1)[NH2+]C2CCOCC2OC)C(=O)N3CCc4c(cc(cn4)C(F)(F)F)C3 |
