Chem
J-GLOBAL ID：200907082443769087   Nikkaji number：J693.382C

Amidepsin A

アミデプシンA
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： C29H29NO11
Molecular formula furigana： C29-H29-N-O11
Molecular weight： 567.547
InChI： InChI=1S/C29H29NO11/c1-13-8-18(10-20(31)23(13)26(33)30-16(4)27(34)35)40-28(36)24-14(2)9-19(11-21(24)32)41-29(37)25-15(3)7-17(38-5)12-22(25)39-6/h7-12,16,31-32H,1-6H3,(H,30,33)(H,34,35)/t16-/m0/s1
InChI key： XQGKRCPZJSNFEL-INIZCTEOSA-N
SMILES： COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)N[C@@H](C)C(=O)O)c(O)c3)c(O)c2)c(OC)c1
Systematic name  (3)：
  • N-[4-[[4-[(2,4-ジメトキシ-6-メチルベンゾイル)オキシ]-2-ヒドロキシ-6-メチルベンゾイル]オキシ]-2-ヒドロキシ-6-メチルベンゾイル]-L-アラニン
  • (2S)-2-({4-[4-(2,4-ジメトキシ-6-メチルベンゾイルオキシ)-2-ヒドロキシ-6-メチルベンゾイルオキシ]-2-ヒドロキシ-6-メチルフェニル}ホルムアミド)プロパン酸
  • (2S)-2-({4-[4-(2,4-dimethoxy-6-methylbenzoyloxy)-2-hydroxy-6-methylbenzoyloxy]-2-hydroxy-6-methylphenyl}formamido)propanoic acid
Other name (4)：
  • アミデプシンA
  • Amidepsine A
  • Amidepsin A
  • N-[4-[[4-[(2,4-Dimethoxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoyl]oxy]-2-hydroxy-6-methylbenzoyl]-L-alanine
CAS registry number： 169181-28-6
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