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概要
表記:ethyl (R)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate
組成式:C20 H37 F N O4 P
電荷:0
化学式量:405.484 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.01ethyl (R)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate
OpenEye OEToolkits1.7.610-[ethoxy(fluoranyl)phosphoryl]decyl N-hept-6-ynylcarbamate

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01FP(=O)(OCC)CCCCCCCCCCOC(=O)NCCCCCC#C
InChIInChI1.03InChI=1S/C20H37FNO4P/c1-3-5-6-11-14-17-22-20(23)25-18-15-12-9-7-8-10-13-16-19-27(21,24)26-4-2/h1H,4-19H2,2H3,(H,22,23)/t27-/m1/s1
InChIKeyInChI1.03JFCFPSBLBVUKMV-HHHXNRCGSA-N
SMILES_CANONICALCACTVS3.370CCO[P@](F)(=O)CCCCCCCCCCOC(=O)NCCCCCC#C
SMILESCACTVS3.370CCO[P](F)(=O)CCCCCCCCCCOC(=O)NCCCCCC#C
SMILES_CANONICALOpenEye OEToolkits1.7.6CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F
SMILESOpenEye OEToolkits1.7.6CCOP(=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F

224931

件を2024-09-11に公開中

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