SSC

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Summary

Name:(2S,5S)-5-CARBOXYMETHYLPROLINE
Formula:C7 H11 N O4
Formal charge:0
Molecular weight:173.167 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(5S)-5-(carboxymethyl)-L-proline
OpenEye OEToolkits1.5.0(2S,5S)-5-(carboxymethyl)pyrrolidine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CC1NC(C(=O)O)CC1
SMILES_CANONICALCACTVS3.341OC(=O)C[C@@H]1CC[C@H](N1)C(O)=O
SMILESCACTVS3.341OC(=O)C[CH]1CC[CH](N1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O
SMILESOpenEye OEToolkits1.5.0C1CC(NC1CC(=O)O)C(=O)O
InChIInChI1.03InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5-/m0/s1
InChIKeyInChI1.03LIZWYFXJOOUDNV-WHFBIAKZSA-N
170172
PDB entries from 2020-10-21