Chem
J-GLOBAL ID：200907074687277477
Nikkaji number：J1.000.720H
(2R)-1,19-Dioxo-2,7,13-trimethyl-3-[(E)-ethylidene]-5-(allyloxycarbonyl)-17-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-18-ethyl-1,2,3,19,22,24-hexahydro-21H-biline-8,12-dipropanoic acid diallyl ester
(2R)-1,19-ジオキソ-2,7,13-トリメチル-3-[(E)-エチリデン]-5-(アリルオキシカルボニル)-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]-18-エチル-1,2,3,19,22,24-ヘキサヒドロ-21H-ビリン-8,12-ジプロパン酸ジアリル
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
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
Molecular formula： C50H51F3N6O8
Molecular formula furigana： C50-H51-F3-N6-O8
Molecular weight： 920.987
InChI：
InChI=1S/C50H51F3N6O8/c1-9-22-65-40(60)20-18-34-27(6)36(25-39-42(33(13-5)47(63)56-39)30-14-16-31(17-15-30)49(58-59-49)50(51,52)53)54-37(34)26-38-35(19-21-41(61)66-23-10-2)28(7)44(55-38)43(48(64)67-24-11-3)45-32(12-4)29(8)46(62)57-45/h9-12,14-17,25-26,29,55H,1-3,13,18-24H2,4-8H3,(H,56,63)(H,57,62)/b32-12+,37-26?,39-25?,45-43?/t29-/m1/s1
InChI key：
VPOWHKXTUMKZDD-WQYNBRJCSA-N
SMILES：
CCC1=C(C(=CC2=NC(=Cc3[nH]c(C(=C4NC(=O)[C@H](C)/C/4=C\C)C(=O)OCC=C)c(C)c3CCC(=O)OCC=C)C(=C2C)CCC(=O)OCC=C)NC1=O)c1ccc(cc1)C1(N=N1)C(F)(F)F
Systematic name (3)：
- (2R)-1,19-ジオキソ-2,7,13-トリメチル-3-[(E)-エチリデン]-5-(アリルオキシカルボニル)-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]-18-エチル-1,2,3,19,22,24-ヘキサヒドロ-21H-ビリン-8,12-ジプロパン酸ジアリル
- プロパ-2-エン-1-イル 3-{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]-2-[(5-{1-[(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]-2-オキソ-2-(プロパ-2-エン-1-イルオキシ)エチル}-4-メチル-3-[3-オキソ-3-(プロパ-2-エン-1-イルオキシ)プロピル]-1H-ピロール-2-イル)メチリデン]-4-メチル-2H-ピロール-3-イル}プロパノアート
- prop-2-en-1-yl 3-{5-[(4-ethyl-5-oxo-3-{4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-2-[(5-{1-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]-2-oxo-2-(prop-2-en-1-yloxy)ethyl}-4-methyl-3-[3-oxo-3-(prop-2-en-1-yloxy)propyl]-1H-pyrrol-2-yl)methylidene]-4-methyl-2H-pyrrol-3-yl}propanoate
- (2R)-1,19-Dioxo-2,7,13-trimethyl-3-[(E)-ethylidene]-5-(allyloxycarbonyl)-17-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-18-ethyl-1,2,3,19,22,24-hexahydro-21H-biline-8,12-dipropanoic acid diallyl ester
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