4U7
Summary
| Name: | [(5S)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-) |
| Formula: | C7 H15 B F2 N O5 |
| Formal charge: | -1 |
| Formula weight: | 242.006 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(5S)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-) |
| OpenEye OEToolkits | 1.7.2 | [(5S)-5-azanyl-5-[bis(fluoranyl)methyl]-6-oxidanyl-6-oxidanylidene-hexyl]-tris(oxidanyl)boranuide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)C(N)(C(=O)O)CCCC[B-](O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H15BF2NO5/c9-5(10)7(11,6(12)13)3-1-2-4-8(14,15)16/h5,14-16H,1-4,11H2,(H,12,13)/q-1/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | MBESMFYYLXWNTB-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@](CCCC[B-](O)(O)O)(C(F)F)C(O)=O |
| SMILES | CACTVS | 3.370 | N[C](CCCC[B-](O)(O)O)(C(F)F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | [B-](CCCC[C@@](C(F)F)(C(=O)O)N)(O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | [B-](CCCCC(C(F)F)(C(=O)O)N)(O)(O)O |
