SBD
Summary
| Name: | D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE |
| Formula: | C17 H22 B N2 O6 |
| Formal charge: | -1 |
| Formula weight: | 361.177 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(1S)-1-(acetylamino)-2-naphthalen-1-ylethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-) |
| OpenEye OEToolkits | 1.5.0 | [(1S)-1-acetamido-2-naphthalen-1-yl-ethyl]-[(2S)-2-amino-3-hydroxy-3-oxo-propoxy]-dihydroxy-boron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CO[B-](O)(O)C(NC(=O)C)Cc2cccc1ccccc12 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@H](Cc1cccc2ccccc12)[B-](O)(O)OC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH](Cc1cccc2ccccc12)[B-](O)(O)OC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [B-]([C@@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | [B-](C(Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16+/m0/s1 |
| InChIKey | InChI | 1.03 | KJSNEFAXFLDDDR-JKSUJKDBSA-N |
