Chem
J-GLOBAL ID：200907008725096560
Nikkaji number：J1.000.714C
2-(tert-Butoxycarbonyl)-4-methyl-5-[3-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-4-ethyl-5-oxopyrrolidine-2-ylidenemethyl]-1H-pyrrole-3-propionic acid allyl ester
2-(tert-ブトキシカルボニル)-4-メチル-5-[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]-4-エチル-5-オキソピロリジン-2-イリデンメチル]-1H-ピロール-3-プロピオン酸アリル
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： C31H35F3N4O5
Molecular formula furigana： C31-H35-F3-N4-O5
Molecular weight： 600.639
InChI：
InChI=1S/C31H35F3N4O5/c1-7-15-42-24(39)14-13-21-17(3)22(35-26(21)28(41)43-29(4,5)6)16-23-25(20(8-2)27(40)36-23)18-9-11-19(12-10-18)30(37-38-30)31(32,33)34/h7,9-12,16,20,25,35H,1,8,13-15H2,2-6H3,(H,36,40)
InChI key：
JCSXUSVDBCPAHZ-UHFFFAOYSA-N
SMILES：
CCC1C(C(=Cc2[nH]c(C(=O)OC(C)(C)C)c(CCC(=O)OCC=C)c2C)NC1=O)c1ccc(cc1)C1(N=N1)C(F)(F)F
Systematic name (3)：
- 2-(tert-ブトキシカルボニル)-4-メチル-5-[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]-4-エチル-5-オキソピロリジン-2-イリデンメチル]-1H-ピロール-3-プロピオン酸アリル
- tert-ブチル 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}ピロリジン-2-イリデン)メチル]-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-カルボキシラート
- tert-butyl 5-[(4-ethyl-5-oxo-3-{4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}pyrrolidin-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(prop-2-en-1-yloxy)propyl]-1H-pyrrole-2-carboxylate
- 2-(tert-Butoxycarbonyl)-4-methyl-5-[3-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-4-ethyl-5-oxopyrrolidine-2-ylidenemethyl]-1H-pyrrole-3-propionic acid allyl ester
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