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

615

Summary
Name:(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide
Formula:C28 H25 N3 O4
Formal charge:0
Formula weight:467.516 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide
OpenEye OEToolkits1.5.0(2S)-N'-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NO)C1CC1(C(=O)N)Cc5ccc(OCc2c4ccccc4nc(c2)c3ccccc3)cc5
SMILES_CANONICALCACTVS3.341NC(=O)[C@]1(C[C@@H]1C(=O)NO)Cc2ccc(OCc3cc(nc4ccccc34)c5ccccc5)cc2
SMILESCACTVS3.341NC(=O)[C]1(C[CH]1C(=O)NO)Cc2ccc(OCc3cc(nc4ccccc34)c5ccccc5)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)CC5(C[C@@H]5C(=O)NO)C(=O)N
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)CC5(CC5C(=O)NO)C(=O)N
InChIInChI1.03InChI=1S/C28H25N3O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32)/t23-,28+/m1/s1
InChIKeyInChI1.03BKHGWMSYWJIRLD-LXFBAYGMSA-N

222415

건을2024-07-10부터공개중

PDB statisticsPDBj update infoContact PDBjnumon