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KTY

概要
表記:desferrioxamine B
別名:N~4~-{5-[acetyl(hydroxy)amino]pentyl}-N~1~-[5-({4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoyl}amino)pentyl]-N~1~-hydr oxybutanediamide
組成式:C25 H48 N6 O8
電荷:0
化学式量:560.684 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~4~-{5-[acetyl(hydroxy)amino]pentyl}-N~1~-[5-({4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoyl}amino)pentyl]-N~1~-hydroxybutanediamide
OpenEye OEToolkits2.0.6~{N}'-(5-azanylpentyl)-~{N}-[5-[[4-[5-[ethanoyl(oxidanyl)amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentyl]-~{N}'-oxidanyl-butanediamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01C(CCCNC(CCC(N(CCCCCNC(CCC(=O)N(O)CCCCCN)=O)O)=O)=O)CN(O)C(C)=O
InChIInChI1.03InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)
InChIKeyInChI1.03UBQYURCVBFRUQT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
SMILESCACTVS3.385CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O
SMILESOpenEye OEToolkits2.0.6CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O

224931

件を2024-09-11に公開中

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