Chem
J-GLOBAL ID：200907066976440693   Nikkaji number：J735.273E

N2-[[2-Nitro-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy]acetyl]-N6-[5-[[(3aβ,6aβ)-2-oxohexahydro-1H-thieno[3,4-d]imidazol]-4α-yl]valeryl]-L-lysine succinimidyl ester

N2-[[2-ニトロ-4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェノキシ]アセチル]-N6-[5-[[(3aβ,6aβ)-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール]-4α-イル]バレリル]-L-リシンスクシンイミジル
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： C30H35F3N7[N+]O9[O-]S
Molecular formula furigana： C30-H35-F3-N8-O10-S
Molecular weight： 756.710
InChI： InChI=1S/C30H35F3N8O10S/c31-30(32,33)29(38-39-29)16-8-9-20(19(13-16)41(48)49)50-14-23(43)35-17(27(46)51-40-24(44)10-11-25(40)45)5-3-4-12-34-22(42)7-2-1-6-21-26-18(15-52-21)36-28(47)37-26/h8-9,13,17-18,21,26H,1-7,10-12,14-15H2,(H,34,42)(H,35,43)(H2,36,37,47)/t17-,18-,21-,26-/m0/s1
InChI key： ZBQYGZVEMBEKEG-BTGSAOCRSA-N
SMILES： [O-][N+](=O)c1cc(ccc1OCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)ON1C(=O)CCC1=O)C1(N=N1)C(F)(F)F
Systematic name  (3)：
  • N2-[[2-ニトロ-4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェノキシ]アセチル]-N6-[5-[[(3aβ,6aβ)-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール]-4α-イル]バレリル]-L-リシンスクシンイミジル
  • 2,5-ジオキソピロリジン-1-イル (2S)-6-{5-[(3aS,4S,6aR)-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタンアミド}-2-(2-{2-ニトロ-4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェノキシ}アセトアミド)ヘキサノアート
  • 2,5-dioxopyrrolidin-1-yl (2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-2-(2-{2-nitro-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy}acetamido)hexanoate
Other name (1)：
  • N2-[[2-Nitro-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenoxy]acetyl]-N6-[5-[[(3aβ,6aβ)-2-oxohexahydro-1H-thieno[3,4-d]imidazol]-4α-yl]valeryl]-L-lysine succinimidyl ester
Thsaurus map：
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