Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
概要配置情報関連するPDBエントリー

OGF

概要
表記:2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
組成式:C21 H20 N6 O2 S
電荷:0
化学式量:420.488 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-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
OpenEye OEToolkits2.0.72-(benzotriazol-1-yl)-~{N}-[4-(methylcarbamoylamino)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide

化合物記述子（線形表記）

種別プログラムバージョン表記
SMILESACDLabs12.01O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NC(=O)NC)cc1
InChIInChI1.06InChI=1S/C21H20N6O2S/c1-22-21(29)23-16-6-8-17(9-7-16)26(12-15-10-11-30-14-15)20(28)13-27-19-5-3-2-4-18(19)24-25-27/h2-11,14H,12-13H2,1H3,(H2,22,23,29)
InChIKeyInChI1.06VEPQAUCCEYXBOH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNC(=O)Nc1ccc(cc1)N(Cc2cscc2)C(=O)Cn3nnc4ccccc34
SMILESCACTVS3.385CNC(=O)Nc1ccc(cc1)N(Cc2cscc2)C(=O)Cn3nnc4ccccc34
SMILES_CANONICALOpenEye OEToolkits2.0.7CNC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3
SMILESOpenEye OEToolkits2.0.7CNC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3

222926

件を2024-07-24に公開中

PDB statisticsPDBj update infoContact PDBjnumon