Chem
J-GLOBAL ID：200907037039999944   Nikkaji number：J1.000.711I

(2R,3E)-18-Ethyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13-trimethyl-17-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-1,19-dioxo-21H-biline-8,12-dipropanoic acid

(2R,3E)-18-エチル-3-エチリデン-1,2,3,19,22,24-ヘキサヒドロ-2,7,13-トリメチル-17-[4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル]-1,19-ジオキソ-21H-ビリン-8,12-ジプロパン酸
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： C40H39F3N6O6
Molecular formula furigana： C40-H39-F3-N6-O6
Molecular weight： 756.783
InChI： InChI=1S/C40H39F3N6O6/c1-6-24-21(5)37(54)46-30(24)16-28-19(3)26(12-14-34(50)51)31(44-28)18-32-27(13-15-35(52)53)20(4)29(45-32)17-33-36(25(7-2)38(55)47-33)22-8-10-23(11-9-22)39(48-49-39)40(41,42)43/h6,8-11,16-18,21,44H,7,12-15H2,1-5H3,(H,46,54)(H,47,55)(H,50,51)(H,52,53)/b24-6+,30-16?,32-18?,33-17?/t21-/m1/s1
InChI key： BJSRSKZCINHCSE-WMXDLSQWSA-N
SMILES： CCC1=C(C(=CC2=NC(=Cc3[nH]c(C=C4NC(=O)[C@H](C)/C/4=C\C)c(C)c3CCC(=O)O)C(=C2C)CCC(=O)O)NC1=O)c1ccc(cc1)C1(N=N1)C(F)(F)F
Systematic name  (4)：
  • (2R)-1,19-ジオキソ-2,7,13-トリメチル-3-[(E)-エチリデン]-17-[4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル]-18-エチル-1,2,3,19,22,24-ヘキサヒドロ-21H-ビリン-8,12-ジプロパン酸
  • (2R,3E)-18-エチル-3-エチリデン-1,2,3,19,22,24-ヘキサヒドロ-2,7,13-トリメチル-17-[4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル]-1,19-ジオキソ-21H-ビリン-8,12-ジプロパン酸
  • 3-(2-{[3-(2-カルボキシエチル)-5-{[(3E,4R)-3-エチリデン-4-メチル-5-オキソピロリジン-2-イリデン]メチル}-4-メチル-1H-ピロール-2-イル]メチリデン}-5-[(4-エチル-5-オキソ-3-{4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル}-2,5-ジヒドロ-1H-ピロール-2-イリデン)メチル]-4-メチル-2H-ピロール-3-イル)プロパン酸
  • 3-(2-{[3-(2-carboxyethyl)-5-{[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methylidene}-5-[(4-ethyl-5-oxo-3-{4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-3-yl)propanoic acid
Other name (2)：
  • (2R)-1,19-Dioxo-2,7,13-trimethyl-3-[(E)-ethylidene]-17-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-18-ethyl-1,2,3,19,22,24-hexahydro-21H-biline-8,12-dipropanoic acid
  • (2R,3E)-18-Ethyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13-trimethyl-17-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-1,19-dioxo-21H-biline-8,12-dipropanoic acid
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