Chem
J-GLOBAL ID：200907096322416609   Nikkaji number：J855.203G

3-[[[[3-(4-Amidinophenyl)-4,5-dihydroisoxazol]-5-yl]acetyl]amino]-3-methylbutyric acid

3-[[[[3-(4-アミジノフェニル)-4,5-ジヒドロイソオキサゾール]-5-イル]アセチル]アミノ]-3-メチル酪酸
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： C17H22N4O4
Molecular formula furigana： C17-H22-N4-O4
Molecular weight： 346.387
InChI： InChI=1S/C17H22N4O4/c1-17(2,9-15(23)24)20-14(22)8-12-7-13(21-25-12)10-3-5-11(6-4-10)16(18)19/h3-6,12H,7-9H2,1-2H3,(H3,18,19)(H,20,22)(H,23,24)
InChI key： XDDALYLFXGJWNV-UHFFFAOYSA-N
SMILES： CC(C)(CC(=O)O)NC(=O)CC1CC(=NO1)c1ccc(cc1)C(=N)N
Systematic name  (3)：
  • 3-[[[[3-(4-アミジノフェニル)-4,5-ジヒドロイソオキサゾール]-5-イル]アセチル]アミノ]-3-メチル酪酸
  • 3-{2-[3-(4-カルバムイミドイルフェニル)-4,5-ジヒドロ-1,2-オキサゾール-5-イル]アセトアミド}-3-メチルブタン酸
  • 3-{2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamido}-3-methylbutanoic acid
Other name (1)：
  • 3-[[[[3-(4-Amidinophenyl)-4,5-dihydroisoxazol]-5-yl]acetyl]amino]-3-methylbutyric acid
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