CRL

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Summary

Name:N-{(1R)-2-[(4-CYANO-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)AMINO]-2-OXO-1-[(TRIMETHYLSILYL)METHYL]ETHYL}MORPHOLINE-4-CARBOXAMIDE
Formula:C17 H30 N4 O5 S Si
Formal charge:0
Molecular weight:430.594 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-{(1R)-2-[(4-cyano-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)amino]-2-oxo-1-[(trimethylsilyl)methyl]ethyl}morpholine-4-carboxamide
OpenEye OEToolkits1.5.0N-[(2R)-1-[(4-cyano-1,1-dioxo-thian-4-yl)amino]-1-oxo-3-trimethylsilyl-propan-2-yl]morpholine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S2(=O)CCC(C#N)(NC(=O)C(NC(=O)N1CCOCC1)C[Si](C)(C)C)CC2
SMILES_CANONICALCACTVS3.341C[Si](C)(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NC2(CC[S](=O)(=O)CC2)C#N
SMILESCACTVS3.341C[Si](C)(C)C[CH](NC(=O)N1CCOCC1)C(=O)NC2(CC[S](=O)(=O)CC2)C#N
SMILES_CANONICALOpenEye OEToolkits1.5.0C[Si](C)(C)C[C@@H](C(=O)NC1(CCS(=O)(=O)CC1)C#N)NC(=O)N2CCOCC2
SMILESOpenEye OEToolkits1.5.0C[Si](C)(C)CC(C(=O)NC1(CCS(=O)(=O)CC1)C#N)NC(=O)N2CCOCC2
InChIInChI1.03InChI=1S/C17H30N4O5SSi/c1-28(2,3)12-14(19-16(23)21-6-8-26-9-7-21)15(22)20-17(13-18)4-10-27(24,25)11-5-17/h14H,4-12H2,1-3H3,(H,19,23)(H,20,22)/t14-/m0/s1
InChIKeyInChI1.03VASVHRZIUGJLOH-AWEZNQCLSA-N