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41S

Summary
Name:N~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide
Formula:C16 H25 F N2 O5 S
Formal charge:0
Formula weight:376.444 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide
OpenEye OEToolkits1.9.2(2R)-2-[(4-fluoranyl-3-methoxy-phenyl)sulfonyl-(2-methylpropyl)amino]-3-methyl-N-oxidanyl-butanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1c(OC)cc(cc1)S(=O)(=O)N(C(C(=O)NO)C(C)C)CC(C)C
InChIInChI1.03InChI=1S/C16H25FN2O5S/c1-10(2)9-19(15(11(3)4)16(20)18-21)25(22,23)12-6-7-13(17)14(8-12)24-5/h6-8,10-11,15,21H,9H2,1-5H3,(H,18,20)/t15-/m1/s1
InChIKeyInChI1.03GINWIYLMIMGVMO-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385COc1cc(ccc1F)[S](=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO
SMILESCACTVS3.385COc1cc(ccc1F)[S](=O)(=O)N(CC(C)C)[CH](C(C)C)C(=O)NO
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(c(c1)OC)F
SMILESOpenEye OEToolkits1.9.2CC(C)CN(C(C(C)C)C(=O)NO)S(=O)(=O)c1ccc(c(c1)OC)F

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건을2024-07-10부터공개중

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