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

BNP

Summary
Name:(3R,4R)-4-{4-[3-(BENZYLOXY)PROPOXY]PHENYL}-3-(2-NAPHTHYLMETHOXY)PIPERIDINE
Formula:C32 H35 N O3
Formal charge:0
Formula weight:481.625 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3R,4R)-4-{4-[3-(benzyloxy)propoxy]phenyl}-3-(naphthalen-2-ylmethoxy)piperidine
OpenEye OEToolkits1.5.0(3R,4R)-3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(Cc2cc1ccccc1cc2)C5C(c4ccc(OCCCOCc3ccccc3)cc4)CCNC5
SMILES_CANONICALCACTVS3.341C(COCc1ccccc1)COc2ccc(cc2)[C@H]3CCNC[C@@H]3OCc4ccc5ccccc5c4
SMILESCACTVS3.341C(COCc1ccccc1)COc2ccc(cc2)[CH]3CCNC[CH]3OCc4ccc5ccccc5c4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)COCCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3OCc4ccc5ccccc5c4
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)COCCCOc2ccc(cc2)C3CCNCC3OCc4ccc5ccccc5c4
InChIInChI1.03InChI=1S/C32H35NO3/c1-2-7-25(8-3-1)23-34-19-6-20-35-30-15-13-28(14-16-30)31-17-18-33-22-32(31)36-24-26-11-12-27-9-4-5-10-29(27)21-26/h1-5,7-16,21,31-33H,6,17-20,22-24H2/t31-,32+/m1/s1
InChIKeyInChI1.03SBQHXMHGXWOGFR-ZWXJPIIXSA-N

224931

PDB entries from 2024-09-11

PDB statisticsPDBj update infoContact PDBjnumon