13Z
Summary
| Name: | 2-[(2-{(2S,4S)-2-[(R)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol |
| Formula: | C17 H29 F N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 372.435 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(2-{(2S,4S)-2-[(R)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol |
| OpenEye OEToolkits | 1.5.0 | 1-[(2S,4S)-2-[(R)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-hydroxy-methyl]-4-fluoro-pyrrolidin-1-yl]-2-[(1-hydroxy-2-methyl-propan-2-yl)amino]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC1CC(N(C(=O)CNC(C)(C)CO)C1)C(O)c2nnc(o2)C(C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)c1oc(nn1)[C@H](O)[C@@H]2C[C@H](F)CN2C(=O)CNC(C)(C)CO |
| SMILES | CACTVS | 3.341 | CC(C)(C)c1oc(nn1)[CH](O)[CH]2C[CH](F)CN2C(=O)CNC(C)(C)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1nnc(o1)[C@@H]([C@@H]2C[C@@H](CN2C(=O)CNC(C)(C)CO)F)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1nnc(o1)C(C2CC(CN2C(=O)CNC(C)(C)CO)F)O |
| InChI | InChI | 1.03 | InChI=1S/C17H29FN4O4/c1-16(2,3)15-21-20-14(26-15)13(25)11-6-10(18)8-22(11)12(24)7-19-17(4,5)9-23/h10-11,13,19,23,25H,6-9H2,1-5H3/t10-,11-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | PHTMASAWZAGGEK-GMXVVIOVSA-N |
