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C22

Summary
Name:3-chloro-L-alanine
Formula:C3 H6 Cl N O2
Formal charge:0
Formula weight:123.538 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-chloro-L-alanine
OpenEye OEToolkits1.7.2(2R)-2-azanyl-3-chloranyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01ClCC(N)C(=O)O
SMILES_CANONICALCACTVS3.370N[C@@H](CCl)C(O)=O
SMILESCACTVS3.370N[CH](CCl)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.2C([C@@H](C(=O)O)N)Cl
SMILESOpenEye OEToolkits1.7.2C(C(C(=O)O)N)Cl
InChIInChI1.03InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1
InChIKeyInChI1.03ASBJGPTTYPEMLP-REOHCLBHSA-N

218853

PDB entries from 2024-04-24

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