Chem
J-GLOBAL ID:200907011671193964   Nikkaji number:J1.907.563J

N-[2-[[4-(Allylamino)-6-[2-[(tert-butoxycarbonyl)amino]ethoxy]-1,3,5-triazine-2-yl]amino]ethyl]-Nα-(3,5-dinitrobenzoyl)-L-leucinamide

N-[2-[[4-(アリルアミノ)-6-[2-[(tert-ブトキシカルボニル)アミノ]エトキシ]-1,3,5-トリアジン-2-イル]アミノ]エチル]-Nα-(3,5-ジニトロベンゾイル)-L-ロイシンアミド
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: C28H40N8[N+]2O7[O-]2
Molecular formula furigana: C28-H40-N10-O9
Molecular weight: 660.689
InChI: InChI=1S/C28H40N10O9/c1-7-8-30-24-34-25(36-26(35-24)46-12-11-32-27(41)47-28(4,5)6)31-10-9-29-23(40)21(13-17(2)3)33-22(39)18-14-19(37(42)43)16-20(15-18)38(44)45/h7,14-17,21H,1,8-13H2,2-6H3,(H,29,40)(H,32,41)(H,33,39)(H2,30,31,34,35,36)/t21-/m0/s1
InChI key: XXFYWMUULIUSBE-NRFANRHFSA-N
SMILES: CC(C)C[C@H](NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCNc1nc(NCC=C)nc(OCCNC(=O)OC(C)(C)C)n1
Systematic name  (3):
  • N-[2-[[4-(アリルアミノ)-6-[2-[(tert-ブトキシカルボニル)アミノ]エトキシ]-1,3,5-トリアジン-2-イル]アミノ]エチル]-Nα-(3,5-ジニトロベンゾイル)-L-ロイシンアミド
  • tert-ブチル N-(2-{[4-({2-[(2S)-2-[(3,5-ジニトロフェニル)ホルムアミド]-4-メチルペンタンアミド]エチル}アミノ)-6-[(プロパ-2-エン-1-イル)アミノ]-1,3,5-トリアジン-2-イル]オキシ}エチル)カルバマート
  • tert-butyl N-(2-{[4-({2-[(2S)-2-[(3,5-dinitrophenyl)formamido]-4-methylpentanamido]ethyl}amino)-6-[(prop-2-en-1-yl)amino]-1,3,5-triazin-2-yl]oxy}ethyl)carbamate
Other name (1):
  • N-[2-[[4-(Allylamino)-6-[2-[(tert-butoxycarbonyl)amino]ethoxy]-1,3,5-triazine-2-yl]amino]ethyl]-Nα-(3,5-dinitrobenzoyl)-L-leucinamide
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