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E41

Summary
Name:N-hydroxy-N^2^-(3-methylbutyl)-N^2^-(naphthalen-2-ylsulfonyl)-D-valinamide
Formula:C20 H28 N2 O4 S
Formal charge:0
Formula weight:392.512 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-hydroxy-N~2~-(3-methylbutyl)-N~2~-(naphthalen-2-ylsulfonyl)-D-valinamide
OpenEye OEToolkits1.9.2(2R)-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-N-oxidanyl-butanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NO)C(N(CCC(C)C)S(=O)(=O)c2ccc1c(cccc1)c2)C(C)C
InChIInChI1.03InChI=1S/C20H28N2O4S/c1-14(2)11-12-22(19(15(3)4)20(23)21-24)27(25,26)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-15,19,24H,11-12H2,1-4H3,(H,21,23)/t19-/m1/s1
InChIKeyInChI1.03MRJCPNBIHXIUFQ-LJQANCHMSA-N
SMILES_CANONICALCACTVS3.385CC(C)CCN([C@H](C(C)C)C(=O)NO)[S](=O)(=O)c1ccc2ccccc2c1
SMILESCACTVS3.385CC(C)CCN([CH](C(C)C)C(=O)NO)[S](=O)(=O)c1ccc2ccccc2c1
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1
SMILESOpenEye OEToolkits1.9.2CC(C)CCN(C(C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1

222415

數據於2024-07-10公開中

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