Chem
J-GLOBAL ID：200907019357378829   Nikkaji number：J985.407J

ZD-9331

ZD-9331
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： C26H25FN8O4
Molecular formula furigana： C26-H25-F-N8-O4
Molecular weight： 532.536
InChI： InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1
InChI key： IEJSCSAMMLUINT-NRFANRHFSA-N
SMILES： Cc1nc(=O)c2cc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCc4nn[nH]n4)C(=O)O)c(F)c3)c(C)cc2[nH]1
Systematic name  (3)：
  • (S)-2-[[2-フルオロ-4-[2-プロピニル[(1,4-ジヒドロ-2,7-ジメチル-4-オキソキナゾリン-6-イル)メチル]アミノ]ベンゾイル]アミノ]-4-(2H-テトラゾール-5-イル)酪酸
  • (2S)-2-[(4-{[(2,7-ジメチル-4-オキソ-1,4-ジヒドロキナゾリン-6-イル)メチル](プロパ-2-イン-1-イル)アミノ}-2-フルオロフェニル)ホルムアミド]-4-(2H-1,2,3,4-テトラゾール-5-イル)ブタン酸
  • (2S)-2-[(4-{[(2,7-dimethyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}-2-fluorophenyl)formamido]-4-(2H-1,2,3,4-tetrazol-5-yl)butanoic acid
Other name (2)：
  • (S)-2-[[2-Fluoro-4-[2-propynyl[(1,4-dihydro-2,7-dimethyl-4-oxoquinazolin-6-yl)methyl]amino]benzoyl]amino]-4-(2H-tetrazol-5-yl)butyric acid
  • ZD-9331
CAS registry number： 153537-73-6
Thsaurus map：
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