Chem
J-GLOBAL ID：200907010398242063   Nikkaji number：J1.956.563G

2-(3-Oxo-6-hydroxy-3H-xanthene-9-yl)-5-[4-[(3-azidopropyl)carbamoyl]butyrylamino]benzoic acid

5-{4-[(3-アジドプロピル)カルバモイル]ブタンアミド}-2-(6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)安息香酸
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： C28H25N3[N-][N+]O7
Molecular formula furigana： C28-H25-N5-O7
Molecular weight： 543.536
InChI： InChI=1S/C28H25N5O7/c29-33-31-12-2-11-30-25(36)3-1-4-26(37)32-16-5-8-19(22(13-16)28(38)39)27-20-9-6-17(34)14-23(20)40-24-15-18(35)7-10-21(24)27/h5-10,13-15,34H,1-4,11-12H2,(H,30,36)(H,32,37)(H,38,39)
InChI key： NLCDGCOTKIFSMI-UHFFFAOYSA-N
SMILES： OC(=O)c1cc(NC(=O)CCCC(=O)NCCCN=[N+]=[N-])ccc1c1c2ccc(O)cc2oc2cc(=O)ccc12
Systematic name  (4)：
  • 2-(3-オキソ-6-ヒドロキシ-3H-キサンテン-9-イル)-5-[1,5-ジオキソ-5-(3-アジドプロピルアミノ)ペンチルアミノ]安息香酸
  • 2-(3-オキソ-6-ヒドロキシ-3H-キサンテン-9-イル)-5-[4-[(3-アジドプロピル)カルバモイル]ブチリルアミノ]安息香酸
  • 5-{4-[(3-アジドプロピル)カルバモイル]ブタンアミド}-2-(6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)安息香酸
  • 5-{4-[(3-azidopropyl)carbamoyl]butanamido}-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Other name (2)：
  • 2-(3-Oxo-6-hydroxy-3H-xanthene-9-yl)-5-[1,5-dioxo-5-(3-azidopropylamino)pentylamino]benzoic acid
  • 2-(3-Oxo-6-hydroxy-3H-xanthene-9-yl)-5-[4-[(3-azidopropyl)carbamoyl]butyrylamino]benzoic acid
Thsaurus map：
Thesaurus Map

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