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7MR

概要
表記:(2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE
組成式:C16 H15 F3 N2 O5 S
電荷:0
化学式量:404.361 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.04(2R)-2-amino-3,3,3-trifluoro-N-hydroxy-2-{[(4-phenoxyphenyl)sulfonyl]methyl}propanamide
OpenEye OEToolkits1.5.0(2R)-2-amino-3,3,3-trifluoro-N-hydroxy-2-[(4-phenoxyphenyl)sulfonylmethyl]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
SMILESACDLabs10.04FC(F)(F)C(C(=O)NO)(N)CS(=O)(=O)c2ccc(Oc1ccccc1)cc2
SMILES_CANONICALCACTVS3.341N[C@](C[S](=O)(=O)c1ccc(Oc2ccccc2)cc1)(C(=O)NO)C(F)(F)F
SMILESCACTVS3.341N[C](C[S](=O)(=O)c1ccc(Oc2ccccc2)cc1)(C(=O)NO)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C[C@@](C(=O)NO)(C(F)(F)F)N
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)CC(C(=O)NO)(C(F)(F)F)N
InChIInChI1.03InChI=1S/C16H15F3N2O5S/c17-16(18,19)15(20,14(22)21-23)10-27(24,25)13-8-6-12(7-9-13)26-11-4-2-1-3-5-11/h1-9,23H,10,20H2,(H,21,22)/t15-/m1/s1
InChIKeyInChI1.03MKRPIBSCGZAUCH-OAHLLOKOSA-N

221716

件を2024-06-26に公開中

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