BF7

?

Summary

Name:4-bromo-D-phenylalanine
Formula:C9 H10 Br N O2
Formal charge:0
Molecular weight:244.085 Da
Component type:D-peptide linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-bromo-D-phenylalanine
OpenEye OEToolkits2.0.7(2~{R})-2-azanyl-3-(4-bromophenyl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC(Cc1ccc(cc1)Br)C(=O)O
InChIInChI1.03InChI=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-/m1/s1
InChIKeyInChI1.03PEMUHKUIQHFMTH-MRVPVSSYSA-N
SMILES_CANONICALCACTVS3.385N[C@H](Cc1ccc(Br)cc1)C(O)=O
SMILESCACTVS3.385N[CH](Cc1ccc(Br)cc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1C[C@H](C(=O)O)N)Br
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1CC(C(=O)O)N)Br