7N8
Summary
| Name: | 4-Borono-L-phenylalanine |
| Formula: | C9 H12 B N O4 |
| Formal charge: | 0 |
| Formula weight: | 209.007 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-[4-(dihydroxyboranyl)phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | NFIVJOSXJDORSP-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccc(cc1)B(O)O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(cc1)B(O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1ccc(cc1)C[C@@H](C(=O)O)N)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(c1ccc(cc1)CC(C(=O)O)N)(O)O |
