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

7LL

概要
表記:2-hydroxy-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide
組成式:C18 H14 N2 O3
電荷:0
化学式量:306.315 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.012-hydroxy-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide
OpenEye OEToolkits2.0.62-oxidanyl-~{N}-[(~{Z})-(2-oxidanylnaphthalen-1-yl)methylideneamino]benzamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01c3(C(=O)NN=[C@H]c1c(O)ccc2c1cccc2)ccccc3O
InChIInChI1.03InChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,21-22H,(H,20,23)/b19-11-
InChIKeyInChI1.03ZZSJOLDICPVVAV-ODLFYWEKSA-N
SMILES_CANONICALCACTVS3.385Oc1ccccc1C(=O)N\N=C/c2c(O)ccc3ccccc23
SMILESCACTVS3.385Oc1ccccc1C(=O)NN=Cc2c(O)ccc3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)ccc(c2/C=N\NC(=O)c3ccccc3O)O
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)ccc(c2C=NNC(=O)c3ccccc3O)O

223166

件を2024-07-31に公開中

PDB statisticsPDBj update infoContact PDBjnumon