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1FY

Summary
Name:(2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
Formula:C17 H26 N4 O4 S2
Formal charge:0
Formula weight:414.543 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
OpenEye OEToolkits1.7.6(2S)-3-cyclohexyl-2-(4-methylsulfonyl-2-oxidanylidene-piperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1nccs1)C(N2C(=O)CN(S(=O)(=O)C)CC2)CC3CCCCC3
InChIInChI1.03InChI=1S/C17H26N4O4S2/c1-27(24,25)20-8-9-21(15(22)12-20)14(11-13-5-3-2-4-6-13)16(23)19-17-18-7-10-26-17/h7,10,13-14H,2-6,8-9,11-12H2,1H3,(H,18,19,23)/t14-/m0/s1
InChIKeyInChI1.03MCVZXAIMSDHSPP-AWEZNQCLSA-N
SMILES_CANONICALCACTVS3.370C[S](=O)(=O)N1CCN([C@@H](CC2CCCCC2)C(=O)Nc3sccn3)C(=O)C1
SMILESCACTVS3.370C[S](=O)(=O)N1CCN([CH](CC2CCCCC2)C(=O)Nc3sccn3)C(=O)C1
SMILES_CANONICALOpenEye OEToolkits1.7.6CS(=O)(=O)N1CCN(C(=O)C1)[C@@H](CC2CCCCC2)C(=O)Nc3nccs3
SMILESOpenEye OEToolkits1.7.6CS(=O)(=O)N1CCN(C(=O)C1)C(CC2CCCCC2)C(=O)Nc3nccs3

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건을2024-07-10부터공개중

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