Chem
J-GLOBAL ID:200907071955366152   Nikkaji number:J2.600.912J

2-[2,6-Dihydroxy-4-[[[(3S)-3α-[(4-hydroxybenzoyl)amino]hexahydro-1H-azepine-4α-yl]oxy]carbonyl]benzoyl]-3-hydroxybenzoic acid

2-[2,6-ジヒドロキシ-4-({[(3S,4R)-3-(4-ヒドロキシベンズアミド)アゼパン-4-イル]オキシ}カルボニル)ベンゾイル]-3-ヒドロキシ安息香酸
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: C28H26N2O10
Molecular formula furigana: C28-H26-N2-O10
Molecular weight: 550.520
InChI: InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22+/m0/s1
InChI key: XYUFCXJZFZPEJD-PGRDOPGGSA-N
SMILES: OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@@H]1NC(=O)c1ccc(O)cc1
Systematic name  (3):
  • 2-[2,6-ジヒドロキシ-4-[[[(3S)-3α-[(4-ヒドロキシベンゾイル)アミノ]ヘキサヒドロ-1H-アゼピン-4α-イル]オキシ]カルボニル]ベンゾイル]-3-ヒドロキシ安息香酸
  • 2-[2,6-ジヒドロキシ-4-({[(3S,4R)-3-(4-ヒドロキシベンズアミド)アゼパン-4-イル]オキシ}カルボニル)ベンゾイル]-3-ヒドロキシ安息香酸
  • 2-[2,6-dihydroxy-4-({[(3S,4R)-3-(4-hydroxybenzamido)azepan-4-yl]oxy}carbonyl)benzoyl]-3-hydroxybenzoic acid
Other name (1):
  • 2-[2,6-Dihydroxy-4-[[[(3S)-3α-[(4-hydroxybenzoyl)amino]hexahydro-1H-azepine-4α-yl]oxy]carbonyl]benzoyl]-3-hydroxybenzoic acid
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