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

0YW

Summary
Name:2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid
Formula:C24 H30 N2 O6
Formal charge:0
Formula weight:442.505 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid
OpenEye OEToolkits1.7.62-[(3-decoxyphenyl)carbonylamino]-5-nitro-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-][N+](=O)c1ccc(c(C(=O)O)c1)NC(=O)c2cc(OCCCCCCCCCC)ccc2
InChIInChI1.03InChI=1S/C24H30N2O6/c1-2-3-4-5-6-7-8-9-15-32-20-12-10-11-18(16-20)23(27)25-22-14-13-19(26(30)31)17-21(22)24(28)29/h10-14,16-17H,2-9,15H2,1H3,(H,25,27)(H,28,29)
InChIKeyInChI1.03PZXIQAYPKSOMHD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCCCCCCCCCOc1cccc(c1)C(=O)Nc2ccc(cc2C(O)=O)[N+]([O-])=O
SMILESCACTVS3.370CCCCCCCCCCOc1cccc(c1)C(=O)Nc2ccc(cc2C(O)=O)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCCCCCOc1cccc(c1)C(=O)Nc2ccc(cc2C(=O)O)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.7.6CCCCCCCCCCOc1cccc(c1)C(=O)Nc2ccc(cc2C(=O)O)[N+](=O)[O-]

222415

건을2024-07-10부터공개중

PDB statisticsPDBj update infoContact PDBjnumon