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RJD

概要
表記:(3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide
組成式:C15 H26 N4 O2
電荷:0
化学式量:294.393 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.01(3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide
OpenEye OEToolkits2.0.6(3~{S},6~{S})-~{N}3-cyclopropyl-~{N}1-(cyclopropylmethyl)-3,6-dimethyl-piperazine-1,3-dicarboxamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01C1(CC1)NC(C3(CN(C(NCC2CC2)=O)C(C)CN3)C)=O
InChIInChI1.03InChI=1S/C15H26N4O2/c1-10-7-17-15(2,13(20)18-12-5-6-12)9-19(10)14(21)16-8-11-3-4-11/h10-12,17H,3-9H2,1-2H3,(H,16,21)(H,18,20)/t10-,15-/m0/s1
InChIKeyInChI1.03SXNUQDJHCXDWNX-BONVTDFDSA-N
SMILES_CANONICALCACTVS3.385C[C@H]1CN[C@@](C)(CN1C(=O)NCC2CC2)C(=O)NC3CC3
SMILESCACTVS3.385C[CH]1CN[C](C)(CN1C(=O)NCC2CC2)C(=O)NC3CC3
SMILES_CANONICALOpenEye OEToolkits2.0.6C[C@H]1CN[C@](CN1C(=O)NCC2CC2)(C)C(=O)NC3CC3
SMILESOpenEye OEToolkits2.0.6CC1CNC(CN1C(=O)NCC2CC2)(C)C(=O)NC3CC3

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件を2024-07-17に公開中

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