Chem
J-GLOBAL ID:200907024677430830   Nikkaji number:J1.143.904G

(3S)-2-Hydroxy-3-[4β-(3,4-dihydroxyphenylacetylaminomethyl)cyclohexane-1α-ylcarbonylamino]piperidine-1-carboxamidine

(3S)-2-ヒドロキシ-3-[4β-(3,4-ジヒドロキシフェニルアセチルアミノメチル)シクロヘキサン-1α-イルカルボニルアミノ]ピペリジン-1-カルボアミジン
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: C22H33N5O5
Molecular formula furigana: C22-H33-N5-O5
Molecular weight: 447.536
InChI: InChI=1S/C22H33N5O5/c23-22(24)27-9-1-2-16(21(27)32)26-20(31)15-6-3-13(4-7-15)12-25-19(30)11-14-5-8-17(28)18(29)10-14/h5,8,10,13,15-16,21,28-29,32H,1-4,6-7,9,11-12H2,(H3,23,24)(H,25,30)(H,26,31)/t13-,15-,16-,21?/m0/s1
InChI key: ZAUDKAPJKYESNZ-XAIBIOMTSA-N
SMILES: NC(=N)N1CCC[C@H](NC(=O)[C@H]2CC[C@H](CNC(=O)Cc3ccc(O)c(O)c3)CC2)C1O
Systematic name  (3):
  • (3S)-2-ヒドロキシ-3-[4β-(3,4-ジヒドロキシフェニルアセチルアミノメチル)シクロヘキサン-1α-イルカルボニルアミノ]ピペリジン-1-カルボアミジン
  • (1r,4r)-N-[(3S)-1-カルバムイミドイル-2-ヒドロキシピペリジン-3-イル]-4-{[2-(3,4-ジヒドロキシフェニル)アセトアミド]メチル}シクロヘキサン-1-カルボキサミド
  • (1r,4r)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-4-{[2-(3,4-dihydroxyphenyl)acetamido]methyl}cyclohexane-1-carboxamide
Other name (1):
  • (3S)-2-Hydroxy-3-[4β-(3,4-dihydroxyphenylacetylaminomethyl)cyclohexane-1α-ylcarbonylamino]piperidine-1-carboxamidine
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