YHD
Summary
| Name: | N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide |
| Formula: | C20 H25 B N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 352.235 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide |
| OpenEye OEToolkits | 2.0.7 | [(1~{R})-1-[[(2~{S})-1-methylpyrrolidin-2-yl]carbonylamino]-2-(4-phenylphenyl)ethyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(Cc1ccc(cc1)c1ccccc1)B(O)O)C1CCCN1C |
| InChI | InChI | 1.03 | InChI=1S/C20H25BN2O3/c1-23-13-5-8-18(23)20(24)22-19(21(25)26)14-15-9-11-17(12-10-15)16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19,25-26H,5,8,13-14H2,1H3,(H,22,24)/t18-,19-/m0/s1 |
| InChIKey | InChI | 1.03 | VGGVSZZQWVUBBQ-OALUTQOASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC[C@H]1C(=O)N[C@@H](Cc2ccc(cc2)c3ccccc3)B(O)O |
| SMILES | CACTVS | 3.385 | CN1CCC[CH]1C(=O)N[CH](Cc2ccc(cc2)c3ccccc3)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B([C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@@H]3CCCN3C)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(C(Cc1ccc(cc1)c2ccccc2)NC(=O)C3CCCN3C)(O)O |
