F93

?

Summary

Name:(2R,3S)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid
Formula:C9 H10 Cl N O4
Formal charge:0
Molecular weight:231.633 Da
Component type:peptide linking

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R},3~{S})-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m1/s1
InChIKeyInChI1.03BACZBJKOFPGENQ-SFYZADRCSA-N
SMILES_CANONICALCACTVS3.385N[C@H]([C@@H](O)c1ccc(O)c(Cl)c1)C(O)=O
SMILESCACTVS3.385N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1[C@@H]([C@H](C(=O)O)N)O)Cl)O
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1C(C(C(=O)O)N)O)Cl)O
171916
PDB entries from 2020-12-02