CLD
Summary
| Name: | D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINE |
| Formula: | C13 H19 B Cl N2 O6 |
| Formal charge: | -1 |
| Formula weight: | 345.564 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(1S)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-) |
| OpenEye OEToolkits | 1.5.0 | [(1S)-1-acetamido-2-(4-chlorophenyl)ethyl]-[(2S)-2-amino-3-hydroxy-3-oxo-propoxy]-dihydroxy-boron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)OCC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@H](Cc1ccc(Cl)cc1)[B-](O)(O)OC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH](Cc1ccc(Cl)cc1)[B-](O)(O)OC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | [B-](C(Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | RJXOEUFRQATKAB-NWDGAFQWSA-N |
