Chem
J-GLOBAL ID:200907048187376273   Nikkaji number:J1.522.587D

2-(3,3-Dimethylguanidino)-5-[4-[4-[[(2S)-2-hydroxy-3-(2-oxo-8-hydroxy-1,2,3,4-tetrahydroquinoline-5-yloxy)propyl]amino]piperidino]benzylidene]-2-thiazoline-4-one

2-(3,3-ジメチルグアニジノ)-5-[4-[4-[[(2S)-2-ヒドロキシ-3-(2-オキソ-8-ヒドロキシ-1,2,3,4-テトラヒドロキノリン-5-イルオキシ)プロピル]アミノ]ピペリジノ]ベンジリデン]-2-チアゾリン-4-オン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C30H37N7O5S
Molecular formula furigana: C30-H37-N7-O5-S
Molecular weight: 607.730
InChI: InChI=1S/C30H37N7O5S/c1-36(2)29(31)35-30-34-28(41)25(43-30)15-18-3-5-20(6-4-18)37-13-11-19(12-14-37)32-16-21(38)17-42-24-9-8-23(39)27-22(24)7-10-26(40)33-27/h3-6,8-9,15,19,21,32,38-39H,7,10-14,16-17H2,1-2H3,(H,33,40)(H2,31,34,35,41)/t21-/m0/s1
InChI key: DNHMCICLDPXBHZ-NRFANRHFSA-N
SMILES: CN(C)C(=N)NC1=NC(=O)C(=Cc2ccc(cc2)N2CCC(CC2)NC[C@H](O)COc2ccc(O)c3NC(=O)CCc23)S1
Systematic name  (3):
  • 2-(3,3-ジメチルグアニジノ)-5-[4-[4-[[(2S)-2-ヒドロキシ-3-(2-オキソ-8-ヒドロキシ-1,2,3,4-テトラヒドロキノリン-5-イルオキシ)プロピル]アミノ]ピペリジノ]ベンジリデン]-2-チアゾリン-4-オン
  • N-(5-{[4-(4-{[(2S)-2-ヒドロキシ-3-[(8-ヒドロキシ-2-オキソ-1,2,3,4-テトラヒドロキノリン-5-イル)オキシ]プロピル]アミノ}ピペリジン-1-イル)フェニル]メチリデン}-4-オキソ-4,5-ジヒドロ-1,3-チアゾール-2-イル)-N',N'-ジメチルグアニジン
  • N-(5-{[4-(4-{[(2S)-2-hydroxy-3-[(8-hydroxy-2-oxo-1,2,3,4-tetrahydroquinolin-5-yl)oxy]propyl]amino}piperidin-1-yl)phenyl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-dimethylguanidine
Other name (1):
  • 2-(3,3-Dimethylguanidino)-5-[4-[4-[[(2S)-2-hydroxy-3-(2-oxo-8-hydroxy-1,2,3,4-tetrahydroquinoline-5-yloxy)propyl]amino]piperidino]benzylidene]-2-thiazoline-4-one
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