Chem
J-GLOBAL ID：200907032382575511
Nikkaji number：J1.000.715A
2-(tert-Butoxycarbonyl)-4-methyl-5-[3-methyl-4-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-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-メチル-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]-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： C30H33F3N4O5
Molecular formula furigana： C30-H33-F3-N4-O5
Molecular weight： 586.612
InChI：
InChI=1S/C30H33F3N4O5/c1-7-14-41-23(38)13-12-20-16(2)21(34-25(20)27(40)42-28(4,5)6)15-22-17(3)24(26(39)35-22)18-8-10-19(11-9-18)29(36-37-29)30(31,32)33/h7-11,15,17,24,34H,1,12-14H2,2-6H3,(H,35,39)
InChI key：
ZVAFBONOAARRCQ-UHFFFAOYSA-N
SMILES：
CC1C(C(=O)NC1=Cc1[nH]c(C(=O)OC(C)(C)C)c(CCC(=O)OCC=C)c1C)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-メチル-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]-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 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}ピロリジン-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]-1H-ピロール-2-カルボキシラート
- tert-butyl 4-methyl-5-[(3-methyl-5-oxo-4-{4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}pyrrolidin-2-ylidene)methyl]-3-[3-oxo-3-(prop-2-en-1-yloxy)propyl]-1H-pyrrole-2-carboxylate
- 2-(tert-Butoxycarbonyl)-4-methyl-5-[3-methyl-4-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]phenyl]-5-oxopyrrolidine-2-ylidenemethyl]-1H-pyrrole-3-propionic acid allyl ester
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