Chem
J-GLOBAL ID：201707019401526701   Nikkaji number：J3.579.117E

Iminimycin B

イミニマイシンB
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： C22H31N[N+]O3S
Molecular formula furigana： C22-H31-N2-O3-S
Molecular weight： 403.560
InChI： InChI=1S/C22H30N2O3S/c1-4-14(2)8-5-6-9-19-16-12-17(16)21-20(10-7-11-24(19)21)28-13-18(22(26)27)23-15(3)25/h4-6,8-9,16-20H,7,10-13H2,1-3H3,(H-,23,25,26,27)/p+1/b8-5+,9-6+,14-4+/t16-,17+,18-,19+,20?/m1/s1
InChI key： FSUJNKWFLCNYEZ-QTEPFJCTSA-O
SMILES： C/C=C(\C)/C=C/C=C/[C@H]1[C@@H]2C[C@@H]2C2=[N+]1CCCC2SC[C@@H](NC(=O)C)C(=O)O
Systematic name  (3)：
  • (1aR,2S,7bS)-2-[(1E,3E,5E)-5-メチル-ヘプタ-1,3,5-トリエニル]-7-((2S)-2-カルボキシ-2-(アセチルアミノ)エチル)チオ-1a,2,4,5,6,7,7b-ヘプタヒドロ-1H-シクロプロパ[a]インドリジン-3-イウム
  • (1aR,2S,7bS)-7-{[(2S)-2-カルボキシ-2-アセトアミドエチル]スルファニル}-2-[(1E,3E,5E)-5-メチルヘプタ-1,3,5-トリエン-1-イル]-1H,1aH,2H,4H,5H,6H,7H,7bH-3λ5-シクロプロパ[a]インドリジン-3-イリウム
  • (1aR,2S,7bS)-7-{[(2S)-2-carboxy-2-acetamidoethyl]sulfanyl}-2-[(1E,3E,5E)-5-methylhepta-1,3,5-trien-1-yl]-1H,1aH,2H,4H,5H,6H,7H,7bH-3λ5-cyclopropa[a]indolizin-3-ylium
Other name (3)：
  • (1aR,2S,7bS)-2-[(1E,3E,5E)-5-Methyl-hepta-1,3,5-trienyl]-7-((2S)-2-carboxy-2-(acetylamino)ethyl)thio-1a,2,4,5,6,7,7b-heptahydro-1H-cyclopropa[a]indolizine-3-ium
  • イミニマイシンB
  • Iminimycin B
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