G3Q

R-Talinolol

Created:2018-08-23
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count1
Bond Count60
Aromatic Bond Count6
2D diagram of G3Q

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Chemical Component Summary

NameR-Talinolol
SynonymsTalinolol
Systematic Name (OpenEye OEToolkits)1-[4-[(2~{R})-3-(~{tert}-butylamino)-2-oxidanyl-propoxy]phenyl]-3-cyclohexyl-urea
FormulaC20 H33 N3 O3
Molecular Weight363.494
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(C)(C)NC[CH](O)COc1ccc(NC(=O)NC2CCCCC2)cc1
SMILESOpenEye OEToolkits2.0.6CC(C)(C)NCC(COc1ccc(cc1)NC(=O)NC2CCCCC2)O
Canonical SMILESCACTVS3.385 CC(C)(C)NC[C@@H](O)COc1ccc(NC(=O)NC2CCCCC2)cc1
Canonical SMILESOpenEye OEToolkits2.0.6 CC(C)(C)NC[C@H](COc1ccc(cc1)NC(=O)NC2CCCCC2)O
InChIInChI1.03 InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)/t17-/m1/s1
InChIKeyInChI1.03 MXFWWQICDIZSOA-QGZVFWFLSA-N

Related Resource References

Resource NameReference
PubChem 156154