Chem
J-GLOBAL ID：200907027042008651
Nikkaji number：J1.000.712G
(2R)-1,19-Dioxo-2,7,13,17-tetramethyl-3-[(E)-ethylidene]-5-(allyloxycarbonyl)-18-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-1,2,3,19,22,24-hexahydro-21H-biline-8,12-dipropanoic acid diallyl ester
(2R)-1,19-ジオキソ-2,7,13,17-テトラメチル-3-[(E)-エチリデン]-5-(アリルオキシカルボニル)-18-[4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル]-1,2,3,19,22,24-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： C49H49F3N6O8
Molecular formula furigana： C49-H49-F3-N6-O8
Molecular weight： 906.960
InChI：
InChI=1S/C49H49F3N6O8/c1-9-21-64-39(59)19-17-33-26(5)35(24-36-29(8)41(46(62)55-36)30-13-15-31(16-14-30)48(57-58-48)49(50,51)52)53-37(33)25-38-34(18-20-40(60)65-22-10-2)27(6)43(54-38)42(47(63)66-23-11-3)44-32(12-4)28(7)45(61)56-44/h9-16,24-25,28,54H,1-3,17-23H2,4-8H3,(H,55,62)(H,56,61)/b32-12+,36-24?,37-25?,44-42?/t28-/m1/s1
InChI key：
LVQDYJPYZDJGAH-WUBCJMDXSA-N
SMILES：
C/C=C/1\[C@@H](C)C(=O)NC1=C(C(=O)OCC=C)c1[nH]c(C=C2N=C(C=C3NC(=O)C(=C3C)c3ccc(cc3)C3(N=N3)C(F)(F)F)C(=C2CCC(=O)OCC=C)C)c(CCC(=O)OCC=C)c1C
Systematic name (3)：
- (2R)-1,19-ジオキソ-2,7,13,17-テトラメチル-3-[(E)-エチリデン]-5-(アリルオキシカルボニル)-18-[4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル]-1,2,3,19,22,24-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-{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-2-({4-メチル-5-[(3-メチル-5-オキソ-4-{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]-3-[3-オキソ-3-(プロパ-2-エン-1-イルオキシ)プロピル]-2H-ピロール-2-イリデン}メチル)-1H-ピロール-3-イル)プロパノアート
- prop-2-en-1-yl 3-(5-{1-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]-2-oxo-2-(prop-2-en-1-yloxy)ethyl}-4-methyl-2-({4-methyl-5-[(3-methyl-5-oxo-4-{4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-3-[3-oxo-3-(prop-2-en-1-yloxy)propyl]-2H-pyrrol-2-ylidene}methyl)-1H-pyrrol-3-yl)propanoate
- (2R)-1,19-Dioxo-2,7,13,17-tetramethyl-3-[(E)-ethylidene]-5-(allyloxycarbonyl)-18-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-1,2,3,19,22,24-hexahydro-21H-biline-8,12-dipropanoic acid diallyl ester
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