4BF
Summary
| Name: | 4-BROMO-L-PHENYLALANINE |
| Synonyms: | P-BROMO-L-PHENYLALANINE |
| Formula: | C9 H10 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 244.085 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-bromo-L-phenylalanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(4-bromophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc1ccc(cc1)CC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccc(Br)cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1ccc(Br)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[C@@H](C(=O)O)N)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(C(=O)O)N)Br |
| InChI | InChI | 1.03 | InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | PEMUHKUIQHFMTH-QMMMGPOBSA-N |
