Chem
J-GLOBAL ID:200907050326863626   Nikkaji number:J1.471.473A

6-[(3R,4R)-2,5-Dioxo-3,4-[9-(hydroxymethyl)-9,10-dihydroanthracene-9,10-diyl]pyrrolidine-1-yl]hexanoic acid

6-[(3R,4R)-2,5-ジオキソ-3,4-[9-(ヒドロキシメチル)-9,10-ジヒドロアントラセン-9,10-ジイル]ピロリジン-1-イル]ヘキサン酸
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: C25H25NO5
Molecular formula furigana: C25-H25-N-O5
Molecular weight: 419.477
InChI: InChI=1S/C25H25NO5/c27-14-25-17-10-5-3-8-15(17)20(16-9-4-6-11-18(16)25)21-22(25)24(31)26(23(21)30)13-7-1-2-12-19(28)29/h3-6,8-11,20-22,27H,1-2,7,12-14H2,(H,28,29)/t20?,21-,22+,25?/m1/s1
InChI key: ZEJMKKLZDOBCHM-LQDNNDEMSA-N
SMILES: OCC12[C@H]3[C@@H](C(c4ccccc14)c1ccccc21)C(=O)N(CCCCCC(=O)O)C3=O
Systematic name  (3):
  • 6-[(3R,4R)-2,5-ジオキソ-3,4-[9-(ヒドロキシメチル)-9,10-ジヒドロアントラセン-9,10-ジイル]ピロリジン-1-イル]ヘキサン酸
  • 6-[(15R,19R)-1-(ヒドロキシメチル)-16,18-ジオキソ-17-アザペンタシクロ[6.6.5.02,7.09,14.015,19]ノナデカ-2,4,6,9,11,13-ヘキサエン-17-イル]ヘキサン酸
  • 6-[(15R,19R)-1-(hydroxymethyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanoic acid
Other name (1):
  • 6-[(3R,4R)-2,5-Dioxo-3,4-[9-(hydroxymethyl)-9,10-dihydroanthracene-9,10-diyl]pyrrolidine-1-yl]hexanoic acid
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