6DU
Summary
| Name: | 2-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 | 12.01 | 2-bromo-L-phenylalanine |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-2-azanyl-3-(2-bromophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C(N)Cc1c(Br)cccc1)O |
| InChI | InChI | 1.03 | InChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | JFVLNTLXEZDFHW-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccccc1Br)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccccc1Br)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(c(c1)C[C@@H](C(=O)O)N)Br |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(c(c1)CC(C(=O)O)N)Br |
