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JRZ

Summary
Name:(2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol
Formula:C17 H27 N O2
Formal charge:0
Formula weight:277.402 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
OpenEye OEToolkits1.7.0(2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(C(NC(C)C)C)COc1ccc(c2c1CCC2)C
SMILES_CANONICALCACTVS3.370CC(C)N[C@@H](C)[C@H](O)COc1ccc(C)c2CCCc12
SMILESCACTVS3.370CC(C)N[CH](C)[CH](O)COc1ccc(C)c2CCCc12
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1ccc(c2c1CCC2)OC[C@H]([C@H](C)NC(C)C)O
SMILESOpenEye OEToolkits1.7.0Cc1ccc(c2c1CCC2)OCC(C(C)NC(C)C)O
InChIInChI1.03InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16+/m0/s1
InChIKeyInChI1.03VFIDUCMKNJIJTO-XJKSGUPXSA-N

218853

PDB entries from 2024-04-24

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