P76
Summary
| Name: | N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide |
| Formula: | C24 H27 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 421.489 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide |
| OpenEye OEToolkits | 1.7.0 | N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxo-butan-2-yl]-4-[4-(2-phenylethynyl)phenyl]piperidine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)NO)C(O)C)N3CCC(c2ccc(C#Cc1ccccc1)cc2)CC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](O)[C@H](NC(=O)N1CC[C@H](CC1)c2ccc(cc2)C#Cc3ccccc3)C(=O)NO |
| SMILES | CACTVS | 3.370 | C[CH](O)[CH](NC(=O)N1CC[CH](CC1)c2ccc(cc2)C#Cc3ccccc3)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H]([C@@H](C(=O)NO)NC(=O)N1CCC(CC1)c2ccc(cc2)C#Cc3ccccc3)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(C(=O)NO)NC(=O)N1CCC(CC1)c2ccc(cc2)C#Cc3ccccc3)O |
| InChI | InChI | 1.03 | InChI=1S/C24H27N3O4/c1-17(28)22(23(29)26-31)25-24(30)27-15-13-21(14-16-27)20-11-9-19(10-12-20)8-7-18-5-3-2-4-6-18/h2-6,9-12,17,21-22,28,31H,13-16H2,1H3,(H,25,30)(H,26,29)/t17-,22+/m1/s1 |
| InChIKey | InChI | 1.03 | SRSVRACVPWREJZ-VGSWGCGISA-N |
