Chem
J-GLOBAL ID：200907040109094511   Nikkaji number：J327.328H

Aerophobin-1

アエロホビン1
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： C15H16Br2N4O4
Molecular formula furigana： C15-H16-BR2-N4-O4
Molecular weight： 476.125
InChI： InChI=1S/C15H16Br2N4O4/c1-24-12-9(16)4-15(13(22)11(12)17)5-10(21-25-15)14(23)19-3-2-8-6-18-7-20-8/h4,6-7,13,22H,2-3,5H2,1H3,(H,18,20)(H,19,23)/t13-,15-/m1/s1
InChI key： MDUQIEXQKMPARD-UKRRQHHQSA-N
SMILES： COC1=C(Br)[C@@H](O)[C@]2(CC(=NO2)C(=O)NCCc2c[nH]cn2)C=C1Br
Systematic name  (3)：
  • [5S,10β,(+)]-7,9-ジブロモ-10-ヒドロキシ-N-[2-(1H-イミダゾール-4-イル)エチル]-8-メトキシ-1-オキサ-2-アザスピロ[4.5]デカ-2,6,8-トリエン-3-カルボアミド
  • (5S,10S)-7,9-ジブロモ-10-ヒドロキシ-N-[2-(1H-イミダゾール-4-イル)エチル]-8-メトキシ-1-オキサ-2-アザスピロ[4.5]デカ-2,6,8-トリエン-3-カルボキサミド
  • (5S,10S)-7,9-dibromo-10-hydroxy-N-[2-(1H-imidazol-4-yl)ethyl]-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide
Other name (3)：
  • アエロホビン1
  • Aerophobin-1
  • [5S,10β,(+)]-7,9-Dibromo-10-hydroxy-N-[2-(1H-imidazole-4-yl)ethyl]-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide
CAS registry number： 87075-24-9
KEGG COMPOUND： C17162
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