BYR
Summary
Name: | 3-bromo-L-tyrosine |
Formula: | C9 H10 Br N O3 |
Formal charge: | 0 |
Formula weight: | 260.085 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 3-bromo-L-tyrosine |
OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-3-(3-bromanyl-4-oxidanyl-phenyl)propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc1cc(ccc1O)CC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1 |
InChIKey | InChI | 1.03 | HGWOSUKIFQMEIF-ZETCQYMHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccc(O)c(Br)c1)C(O)=O |
SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(O)c(Br)c1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C[C@@H](C(=O)O)N)Br)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1CC(C(=O)O)N)Br)O |