Chem
J-GLOBAL ID：200907078875368221   Nikkaji number：J2.414.305H

Exiguamine A

エキシグアミン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： C25H26N4[N+]O6
Molecular formula furigana： C25-H26-N5-O6
Molecular weight： 492.511
InChI： InChI=1S/C25H25N5O6/c1-28-23(34)25(29(2)24(28)35)18-17(21(33)19-15(20(18)32)11(5-7-26)10-27-19)16-12-6-8-30(3,4)13(12)9-14(31)22(16)36-25/h9-10H,5-8,26H2,1-4H3,(H-,27,31,32,33)/p+1/t25-/m1/s1
InChI key： UEKKREMMIOJMRO-RUZDIDTESA-O
SMILES： CN1C(=O)N(C)[C@]2(Oc3c(O)cc4c(CC[N+]4(C)C)c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O
Systematic name  (3)：
  • 1,1-ジメチル-2,3-ジヒドロ-3′-(2-アミノエチル)-4′,7′-ジオキソ-6-ヒドロキシ-5,5′-[オキシ[(5R)-1,3-ジメチル-2,4-ジオキソイミダゾリジン-5,5-ジイル]]-4,6′-ビ[1H-インドール]-1-イウム
  • (4R)-16'-(2-アミノエチル)-9'-ヒドロキシ-1,3,6',6'-テトラメチル-2,5,14',20'-テトラオキソ-11'-オキサ-6',18'-ジアザスピロ[イミダゾリジン-4,12'-ペンタシクロ[11.7.0.02,10.03,7.015,19]イコサン]-1'(13'),2',7',9',15'(19'),16'-ヘキサエン-6'-イウム
  • (4R)-16'-(2-aminoethyl)-9'-hydroxy-1,3,6',6'-tetramethyl-2,5,14',20'-tetraoxo-11'-oxa-6',18'-diazaspiro[imidazolidine-4,12'-pentacyclo[11.7.0.02,10.03,7.015,19]icosane]-1'(13'),2',7',9',15'(19'),16'-hexaen-6'-ium
Other name (3)：
  • 1,1-Dimethyl-2,3-dihydro-3′-(2-aminoethyl)-4′,7′-dioxo-6-hydroxy-5,5′-[oxy[(5R)-1,3-dimethyl-2,4-dioxoimidazolidine-5,5-diyl]]-4,6′-bi[1H-indole]-1-ium
  • Exiguamine A
  • エキシグアミンA
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