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L0J

概要
表記:N-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
組成式:C14 H22 N4 O4 S
電荷:0
化学式量:342.414 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-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
OpenEye OEToolkits2.0.7~{N}-[1-(2-azanylethylsulfonyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01C1CN(CCC1NC(=O)c3cc(C2CC2)on3)S(CCN)(=O)=O
InChIInChI1.03InChI=1S/C14H22N4O4S/c15-5-8-23(20,21)18-6-3-11(4-7-18)16-14(19)12-9-13(22-17-12)10-1-2-10/h9-11H,1-8,15H2,(H,16,19)
InChIKeyInChI1.03AMCHZZBLDUVCGF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCC[S](=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3
SMILESCACTVS3.385NCC[S](=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CCN)C3CC3
SMILESOpenEye OEToolkits2.0.7c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CCN)C3CC3

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件を2024-07-17に公開中

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