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Summary
Name:methyl (2~{S})-1-[4-(propanoylamino)phenyl]sulfonylpyrrolidine-2-carboxylate
Formula:C15 H20 N2 O5 S
Formal charge:0
Formula weight:340.395 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7methyl (2~{S})-1-[4-(propanoylamino)phenyl]sulfonylpyrrolidine-2-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C15H20N2O5S/c1-3-14(18)16-11-6-8-12(9-7-11)23(20,21)17-10-4-5-13(17)15(19)22-2/h6-9,13H,3-5,10H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyInChI1.06XUWWNCVLMRGMIO-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385CCC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCC[C@H]2C(=O)OC
SMILESCACTVS3.385CCC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(=O)OC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCC[C@H]2C(=O)OC
SMILESOpenEye OEToolkits2.0.7CCC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)OC

248636

PDB entries from 2026-02-04

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