Chem
J-GLOBAL ID：200907071860412467   Nikkaji number：J884.451H

Methanofuran

メタノフラン
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： C34H44N4O15
Molecular formula furigana： C34-H44-N4-O15
Molecular weight： 748.739
InChI： InChI=1S/C34H44N4O15/c35-16-22-15-20(18-53-22)17-52-21-3-1-19(2-4-21)13-14-36-27(39)10-7-25(33(48)49)38-29(41)11-8-26(34(50)51)37-28(40)9-5-23(31(44)45)24(32(46)47)6-12-30(42)43/h1-4,15,18,23-26H,5-14,16-17,35H2,(H,36,39)(H,37,40)(H,38,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/t23?,24?,25-,26-/m0/s1
InChI key： CKRUWFDORAQSRC-HDLCADABSA-N
SMILES： NCc1cc(COc2ccc(CCNC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CCC(C(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc2)co1
Systematic name  (3)：
  • N5-[2-[4-[[5-(アミノメチル)-3-フラニル]メトキシ]フェニル]エチル]-N2-[N-(4,5,7-トリカルボキシ-1-オキソヘプチル)-L-γ-グルタミル]-L-グルタミン
  • 1-(2-{[(1S)-3-{[(1S)-3-{[2-(4-{[5-(アミノメチル)フラン-3-イル]メトキシ}フェニル)エチル]カルバモイル}-1-カルボキシプロピル]カルバモイル}-1-カルボキシプロピル]カルバモイル}エチル)ブタン-1,2,4-トリカルボン酸
  • 1-(2-{[(1S)-3-{[(1S)-3-{[2-(4-{[5-(aminomethyl)furan-3-yl]methoxy}phenyl)ethyl]carbamoyl}-1-carboxypropyl]carbamoyl}-1-carboxypropyl]carbamoyl}ethyl)butane-1,2,4-tricarboxylic acid
Other name (3)：
  • メタノフラン
  • Methanofuran
  • N5-[2-[4-[[5-(Aminomethyl)-3-furanyl]methoxy]phenyl]ethyl]-N2-[N-(4,5,7-tricarboxy-1-oxoheptyl)-L-γ-glutamyl]-L-glutamine
CAS registry number： 89873-36-9
KEGG COMPOUND： C00862
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