Chem
J-GLOBAL ID：200907017518523333   Nikkaji number：J134.077H

Purealine

プレアリン
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： C27H29Br4N7O7
Molecular formula furigana： C27-H29-BR4-N7-O7
Molecular weight： 883.187
InChI： InChI=1S/C27H29Br4N7O7/c1-43-22-17(30)10-27(23(39)20(22)31)11-19(38-45-27)25(41)33-4-2-6-44-21-15(28)7-13(8-16(21)29)9-18(37-42)24(40)34-5-3-14-12-35-26(32)36-14/h7-8,10,12,23,39,42H,2-6,9,11H2,1H3,(H,33,41)(H,34,40)(H3,32,35,36)/t23-,27+/m1/s1
InChI key： FFJLRVBPVWKFTA-KCWPFWIISA-N
SMILES： COC1=C(Br)[C@@H](O)[C@@]2(CC(=NO2)C(=O)NCCCOc2c(Br)cc(CC(=NO)C(=O)NCCc3c[nH]c(N)n3)cc2Br)C=C1Br
Systematic name  (3)：
  • (5R,10S)-N-[3-[4-[3-[[2-(2-アミノ-1H-イミダゾール-4-イル)エチル]アミノ]-2-(ヒドロキシイミノ)-3-オキソプロピル]-2,6-ジブロモフェノキシ]プロピル]-7,9-ジブロモ-10β-ヒドロキシ-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
  • (5R,10S)-N-{3-[4-(2-{[2-(2-アミノ-1H-イミダゾール-4-イル)エチル]カルバモイル}-2-(ヒドロキシイミノ)エチル)-2,6-ジブロモフェノキシ]プロピル}-7,9-ジブロモ-10-ヒドロキシ-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
  • (5R,10S)-N-{3-[4-(2-{[2-(2-amino-1H-imidazol-4-yl)ethyl]carbamoyl}-2-(hydroxyimino)ethyl)-2,6-dibromophenoxy]propyl}-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide
Other name (4)：
  • Purealine
  • プレアリン
  • Purealin
  • (5R,10S)-N-[3-[4-[3-[[2-(2-Amino-1H-imidazol-4-yl)ethyl]amino]-2-(hydroxyimino)-3-oxopropyl]-2,6-dibromophenoxy]propyl]-7,9-dibromo-10β-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide
CAS registry number： 100101-28-8
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