Chem
J-GLOBAL ID：200907090771710688   Nikkaji number：J487.159F

FR-139317

FR-139317
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： C33H44N6O5
Molecular formula furigana： C33-H44-N6-O5
Molecular weight： 604.752
InChI： InChI=1S/C33H44N6O5/c1-22(2)18-26(37-33(44)39-16-10-4-5-11-17-39)30(40)35-27(19-23-21-38(3)29-14-7-6-13-25(23)29)31(41)36-28(32(42)43)20-24-12-8-9-15-34-24/h6-9,12-15,21-22,26-28H,4-5,10-11,16-20H2,1-3H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t26-,27+,28+/m0/s1
InChI key： LIOKMIQQPDDTNO-UPRLRBBYSA-N
SMILES： CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(=O)O
Systematic name  (6)：
  • N-[[(ヘキサヒドロ-1H-アゼピン)-1-イル]カルボニル]-L-Leu-1-メチル-D-Trp-3-(2-ピリジニル)-D-Ala-OH
  • N-[(ヘキサヒドロ-1H-アゼピン-1-イル)カルボニル]-L-Leu-1-メチル-D-Trp-3-(2-ピリジニル)-D-Ala-OH
  • N-(ヘキサヒドロ-1H-アゼピン-1-イルカルボニル)-L-Leu-1-メチル-D-Trp-3-(2-ピリジル)-D-Ala-OH
  • N-[(ヘキサヒドロ-1H-アゼピン-1-イル)カルボニル]-L-Leu-1-メチル-D-Trp-3-(2-ピリジル)-D-Ala-OH
  • (2R)-2-[(2R)-2-[(2S)-2-[(アゼパン-1-カルボニル)アミノ]-4-メチルペンタンアミド]-3-(1-メチル-1H-インドール-3-イル)プロパンアミド]-3-(ピリジン-2-イル)プロパン酸
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Other name (7)：
  • FR-139317
  • N-[[(Hexahydro-1H-azepin)-1-yl]carbonyl]-L-Leu-1-methyl-D-Trp-3-(2-pyridinyl)-D-Ala-OH
  • PD-147953
  • N-[(Hexahydro-1H-azepine-1-yl)carbonyl]-L-Leu-1-methyl-D-Trp-3-(2-pyridinyl)-D-Ala-OH
  • N-(Hexahydro-1H-azepine-1-ylcarbonyl)-L-Leu-1-methyl-D-Trp-3-(2-pyridyl)-D-Ala-OH
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CAS registry number： 142375-60-8
Application (2)：
endothelin antagonist ,  vasoactive drug
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