7S2
Summary
| Name: | (2R,4R)-N-[[4-(4-cyclopropylbuta-1,3-diynyl)phenyl]methyl]-1-(2-methylpropanoyl)-4-[[(2S,4R)-4-oxidanylpyrrolidin-2-yl]carbonylamino]pyrrolidine-2-carboxamide |
| Formula: | C28 H34 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 490.594 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},4~{R})-~{N}-[[4-(4-cyclopropylbuta-1,3-diynyl)phenyl]methyl]-1-(2-methylpropanoyl)-4-[[(2~{S},4~{R})-4-oxidanylpyrrolidin-2-yl]carbonylamino]pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C28H34N4O4/c1-18(2)28(36)32-17-22(31-26(34)24-14-23(33)16-29-24)13-25(32)27(35)30-15-21-11-9-20(10-12-21)6-4-3-5-19-7-8-19/h9-12,18-19,22-25,29,33H,7-8,13-17H2,1-2H3,(H,30,35)(H,31,34)/t22-,23-,24+,25-/m1/s1 |
| InChIKey | InChI | 1.03 | YZLBDXYDHITEKM-ZKGSSEMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C(=O)N1C[C@@H](C[C@@H]1C(=O)NCc2ccc(cc2)C#CC#CC3CC3)NC(=O)[C@@H]4C[C@@H](O)CN4 |
| SMILES | CACTVS | 3.385 | CC(C)C(=O)N1C[CH](C[CH]1C(=O)NCc2ccc(cc2)C#CC#CC3CC3)NC(=O)[CH]4C[CH](O)CN4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C(=O)N1C[C@@H](C[C@@H]1C(=O)NCc2ccc(cc2)C#CC#CC3CC3)NC(=O)[C@@H]4C[C@H](CN4)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(=O)N1CC(CC1C(=O)NCc2ccc(cc2)C#CC#CC3CC3)NC(=O)C4CC(CN4)O |
