Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

41T

Summary
Name:N-hydroxy-N~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-N~2~-(2-methylpropyl)-D-valinamide
Formula:C17 H28 N2 O5 S
Formal charge:0
Formula weight:372.48 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-hydroxy-N~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-N~2~-(2-methylpropyl)-D-valinamide
OpenEye OEToolkits1.9.2(2R)-2-[[3-(methoxymethyl)phenyl]sulfonyl-(2-methylpropyl)amino]-3-methyl-N-oxidanyl-butanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N(C(C(=O)NO)C(C)C)CC(C)C)c1cc(ccc1)COC
InChIInChI1.03InChI=1S/C17H28N2O5S/c1-12(2)10-19(16(13(3)4)17(20)18-21)25(22,23)15-8-6-7-14(9-15)11-24-5/h6-9,12-13,16,21H,10-11H2,1-5H3,(H,18,20)/t16-/m1/s1
InChIKeyInChI1.03FSBJQCWNYNVFOV-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385COCc1cccc(c1)[S](=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO
SMILESCACTVS3.385COCc1cccc(c1)[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)c1cccc(c1)COC
SMILESOpenEye OEToolkits1.9.2CC(C)CN(C(C(C)C)C(=O)NO)S(=O)(=O)c1cccc(c1)COC

222415

數據於2024-07-10公開中

PDB statisticsPDBj update infoContact PDBjnumon