82O
Summary
| Name: | (3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide |
| Formula: | C28 H39 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 477.642 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{R},4~{R})-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-~{N}-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C28H39N5O2/c1-16(2)10-20-12-21(13-20)26-30-31-27(33(26)22-7-8-22)23-14-32(19(5)34)15-24(23)28(35)29-25-9-6-17(3)11-18(25)4/h6,9,11,16,20-24H,7-8,10,12-15H2,1-5H3,(H,29,35)/t20-,21+,23-,24-/m0/s1 |
| InChIKey | InChI | 1.03 | NRAQMBSBKYAKMR-DVKRWUGUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H]1C[C@@H](C1)c2nnc([C@H]3CN(C[C@@H]3C(=O)Nc4ccc(C)cc4C)C(C)=O)n2C5CC5 |
| SMILES | CACTVS | 3.385 | CC(C)C[CH]1C[CH](C1)c2nnc([CH]3CN(C[CH]3C(=O)Nc4ccc(C)cc4C)C(C)=O)n2C5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c(c1)C)NC(=O)[C@H]2CN(C[C@@H]2c3nnc(n3C4CC4)C5CC(C5)CC(C)C)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c(c1)C)NC(=O)C2CN(CC2c3nnc(n3C4CC4)C5CC(C5)CC(C)C)C(=O)C |
