Chem
J-GLOBAL ID:200907094135169123   Nikkaji number:J2.067.167J

N-tert-Butyl-Nα-[2-[[(S)-1-(tert-butylcarbamoyl)-2-(1H-imidazole-4-yl)ethyl]amino]-2,4,6-cycloheptatriene-1-ylidene]-L-histidinamide

N-tert-ブチル-Nα-[2-[[(S)-1-(tert-ブチルカルバモイル)-2-(1H-イミダゾール-4-イル)エチル]アミノ]-2,4,6-シクロヘプタトリエン-1-イリデン]-L-ヒスチジンアミド
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: C27H38N8O2
Molecular formula furigana: C27-H38-N8-O2
Molecular weight: 506.655
InChI: InChI=1S/C27H38N8O2/c1-26(2,3)34-24(36)22(12-18-14-28-16-30-18)32-20-10-8-7-9-11-21(20)33-23(13-19-15-29-17-31-19)25(37)35-27(4,5)6/h7-11,14-17,22-23H,12-13H2,1-6H3,(H,28,30)(H,29,31)(H,32,33)(H,34,36)(H,35,37)/t22-,23-/m0/s1
InChI key: QTHZNFLQMNHRGE-GOTSBHOMSA-N
SMILES: CC(C)(C)NC(=O)[C@H](Cc1c[nH]cn1)Nc1cccccc1=N[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C
Systematic name  (4):
  • (2S)-N-tert-ブチル-2-[[2-[[(S)-1-(tert-ブチルカルバモイル)-2-(1H-イミダゾール-4-イル)エチル]アミノ]-2,4,6-シクロヘプタトリエン-1-イリデン]アミノ]-3-(3H-イミダゾール-4-イル)プロパンアミド
  • N-tert-ブチル-Nα-[2-[[(S)-1-(tert-ブチルカルバモイル)-2-(1H-イミダゾール-4-イル)エチル]アミノ]-2,4,6-シクロヘプタトリエン-1-イリデン]-L-ヒスチジンアミド
  • (2S)-N-tert-ブチル-2-[(2-{[(1S)-1-(tert-ブチルカルバモイル)-2-(1H-イミダゾール-4-イル)エチル]アミノ}シクロヘプタ-2,4,6-トリエン-1-イリデン)アミノ]-3-(1H-イミダゾール-5-イル)プロパンアミド
  • (2S)-N-tert-butyl-2-[(2-{[(1S)-1-(tert-butylcarbamoyl)-2-(1H-imidazol-4-yl)ethyl]amino}cyclohepta-2,4,6-trien-1-ylidene)amino]-3-(1H-imidazol-5-yl)propanamide
Other name (2):
  • (2S)-N-tert-Butyl-2-[[2-[[(S)-1-(tert-butylcarbamoyl)-2-(1H-imidazole-4-yl)ethyl]amino]-2,4,6-cycloheptatriene-1-ylidene]amino]-3-(3H-imidazole-4-yl)propanamide
  • N-tert-Butyl-Nα-[2-[[(S)-1-(tert-butylcarbamoyl)-2-(1H-imidazole-4-yl)ethyl]amino]-2,4,6-cycloheptatriene-1-ylidene]-L-histidinamide
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