Chem
J-GLOBAL ID:200907009073140371   Nikkaji number:J397.578I

Enalkiren

エナルキレン
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: C35H56N6O6
Molecular formula furigana: C35-H56-N6-O6
Molecular weight: 656.869
InChI: InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1
InChI key: KQXVERRYBYGQJZ-WRPDIKACSA-N
SMILES: COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
Systematic name  (3):
  • (2S,3R,4S)-1-シクロヘキシル-2-[[N-(3-アミノ-3-メチルブタノイル)-O-メチル-L-Tyr-L-His-]アミノ]-6-メチルヘプタン-3,4-ジオール
  • 3-アミノ-N-[(1S)-1-{[(1S)-1-{[(2S,3R,4S)-1-シクロヘキシル-3,4-ジヒドロキシ-6-メチルヘプタン-2-イル]カルバモイル}-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}-2-(4-メトキシフェニル)エチル]-3-メチルブタンアミド
  • 3-amino-N-[(1S)-1-{[(1S)-1-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-(4-methoxyphenyl)ethyl]-3-methylbutanamide
Other name (7):
  • Enalkiren
  • エナルキレン
  • ABBOTT 64662
  • (2S,3R,4S)-1-Cyclohexyl-2-[[N-(3-amino-3-methylbutanoyl)-O-methyl-L-Tyr-L-His-]amino]-6-methylheptane-3,4-diol
  • A-64662
Show all
CAS registry number: 113082-98-7
KEGG DRUG: D03738
KEGG COMPOUND: C07466
Application (1):
proteinase inhibitor
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