Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

IN7

Summary
Name:[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID
Formula:C19 H22 N2 O4 S
Formal charge:0
Formula weight:374.454 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-{[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyl}glycine
OpenEye OEToolkits1.5.02-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CNS(=O)(=O)c1ccc(cc1)N3CCC(c2ccccc2)CC3
SMILES_CANONICALCACTVS3.341OC(=O)CN[S](=O)(=O)c1ccc(cc1)N2CCC(CC2)c3ccccc3
SMILESCACTVS3.341OC(=O)CN[S](=O)(=O)c1ccc(cc1)N2CCC(CC2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)NCC(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)NCC(=O)O
InChIInChI1.03InChI=1S/C19H22N2O4S/c22-19(23)14-20-26(24,25)18-8-6-17(7-9-18)21-12-10-16(11-13-21)15-4-2-1-3-5-15/h1-9,16,20H,10-14H2,(H,22,23)
InChIKeyInChI1.03GNSLACGSDSJAIQ-UHFFFAOYSA-N

222415

數據於2024-07-10公開中

PDB statisticsPDBj update infoContact PDBjnumon