Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

56Q

概要
表記:N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-methyl-D-alaninamide
組成式:C11 H15 F N2 O4 S
電荷:0
化学式量:290.311 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.01N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-methyl-D-alaninamide
OpenEye OEToolkits1.9.2(2R)-2-[(4-fluoranyl-3-methyl-phenyl)sulfonyl-methyl-amino]-N-oxidanyl-propanamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01C(C(NO)=O)(N(C)S(c1ccc(c(c1)C)F)(=O)=O)C
InChIInChI1.03InChI=1S/C11H15FN2O4S/c1-7-6-9(4-5-10(7)12)19(17,18)14(3)8(2)11(15)13-16/h4-6,8,16H,1-3H3,(H,13,15)/t8-/m1/s1
InChIKeyInChI1.03WVQNSSTZICUBDI-MRVPVSSYSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](N(C)[S](=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
SMILESCACTVS3.385C[CH](N(C)[S](=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1cc(ccc1F)S(=O)(=O)N(C)[C@H](C)C(=O)NO
SMILESOpenEye OEToolkits1.9.2Cc1cc(ccc1F)S(=O)(=O)N(C)C(C)C(=O)NO

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon