A1E5T
Summary
| Name: | methyl (2~{S},3~{R})-2-[[1-[(4-fluorophenyl)methyl]indazol-3-yl]carbonylamino]-3-oxidanyl-butanoate |
| Formula: | C20 H20 F N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 385.389 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (2~{S},3~{R})-2-[[1-[(4-fluorophenyl)methyl]indazol-3-yl]carbonylamino]-3-oxidanyl-butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H20FN3O4/c1-12(25)17(20(27)28-2)22-19(26)18-15-5-3-4-6-16(15)24(23-18)11-13-7-9-14(21)10-8-13/h3-10,12,17,25H,11H2,1-2H3,(H,22,26)/t12-,17+/m1/s1 |
| InChIKey | InChI | 1.06 | MRPRIQPYLOWVRF-PXAZEXFGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H](NC(=O)c1nn(Cc2ccc(F)cc2)c3ccccc13)[C@@H](C)O |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](NC(=O)c1nn(Cc2ccc(F)cc2)c3ccccc13)[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@@H](C(=O)OC)NC(=O)c1c2ccccc2n(n1)Cc3ccc(cc3)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C(=O)OC)NC(=O)c1c2ccccc2n(n1)Cc3ccc(cc3)F)O |
