LPV
Summary
| Name: | (2~{R},3~{S})-3-azanyl-~{N}-[(2~{R})-4-(4-butylphenoxy)-1-phenyl-butan-2-yl]-2-oxidanyl-butanamide |
| Formula: | C24 H34 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 398.538 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S})-3-azanyl-~{N}-[(2~{R})-4-(4-butylphenoxy)-1-phenyl-butan-2-yl]-2-oxidanyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H34N2O3/c1-3-4-8-19-11-13-22(14-12-19)29-16-15-21(17-20-9-6-5-7-10-20)26-24(28)23(27)18(2)25/h5-7,9-14,18,21,23,27H,3-4,8,15-17,25H2,1-2H3,(H,26,28)/t18-,21-,23+/m0/s1 |
| InChIKey | InChI | 1.06 | NJJDDOXTSSONSJ-AVCGJXAMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCc1ccc(OCC[C@@H](Cc2ccccc2)NC(=O)[C@H](O)[C@H](C)N)cc1 |
| SMILES | CACTVS | 3.385 | CCCCc1ccc(OCC[CH](Cc2ccccc2)NC(=O)[CH](O)[CH](C)N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCc1ccc(cc1)OCC[C@@H](Cc2ccccc2)NC(=O)[C@@H]([C@H](C)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCc1ccc(cc1)OCCC(Cc2ccccc2)NC(=O)C(C(C)N)O |
