Chem
J-GLOBAL ID：200907038772576444   Nikkaji number：J2.067.166A

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

N-イソプロピル-Nα-[2-[[(S)-1-(イソプロピルカルバモイル)-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： C25H34N8O2
Molecular formula furigana： C25-H34-N8-O2
Molecular weight： 478.601
InChI： InChI=1S/C25H34N8O2/c1-16(2)30-24(34)22(10-18-12-26-14-28-18)32-20-8-6-5-7-9-21(20)33-23(25(35)31-17(3)4)11-19-13-27-15-29-19/h5-9,12-17,22-23H,10-11H2,1-4H3,(H,26,28)(H,27,29)(H,30,34)(H,31,35)(H,32,33)/t22-,23-/m0/s1
InChI key： XMDIJDYKZMJZPG-GOTSBHOMSA-N
SMILES： CC(C)NC(=O)[C@H](Cc1c[nH]cn1)Nc1cccccc1=N[C@@H](Cc1cnc[nH]1)C(=O)NC(C)C
Systematic name  (4)：
  • (2S)-N-イソプロピル-2-[[2-[[(S)-1-(イソプロピルカルバモイル)-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-イソプロピル-Nα-[2-[[(S)-1-(イソプロピルカルバモイル)-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)-2-[(2-{[(1S)-2-(1H-イミダゾール-4-イル)-1-[(プロパン-2-イル)カルバモイル]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)-N-(プロパン-2-イル)プロパンアミド
  • (2S)-2-[(2-{[(1S)-2-(1H-imidazol-4-yl)-1-[(propan-2-yl)carbamoyl]ethyl]amino}cyclohepta-2,4,6-trien-1-ylidene)amino]-3-(1H-imidazol-5-yl)-N-(propan-2-yl)propanamide
Other name (2)：
  • (2S)-N-Isopropyl-2-[[2-[[(S)-1-(isopropylcarbamoyl)-2-(1H-imidazole-4-yl)ethyl]amino]-2,4,6-cycloheptatriene-1-ylidene]amino]-3-(3H-imidazole-4-yl)propanamide
  • N-Isopropyl-Nα-[2-[[(S)-1-(isopropylcarbamoyl)-2-(1H-imidazole-4-yl)ethyl]amino]-2,4,6-cycloheptatriene-1-ylidene]-L-histidinamide
Thsaurus map：
Thesaurus Map

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