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

JTZ

Summary
Name:(2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol
Formula:C15 H23 N O2
Formal charge:0
Formula weight:249.349 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-1-(propan-2-ylamino)-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol
OpenEye OEToolkits1.7.0(2S)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(c1ccccc1C\C=C)CC(O)CNC(C)C
SMILES_CANONICALCACTVS3.370CC(C)NC[C@H](O)COc1ccccc1CC=C
SMILESCACTVS3.370CC(C)NC[CH](O)COc1ccccc1CC=C
SMILES_CANONICALOpenEye OEToolkits1.7.0CC(C)NC[C@@H](COc1ccccc1CC=C)O
SMILESOpenEye OEToolkits1.7.0CC(C)NCC(COc1ccccc1CC=C)O
InChIInChI1.03InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m0/s1
InChIKeyInChI1.03PAZJSJFMUHDSTF-AWEZNQCLSA-N

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon