Chem
J-GLOBAL ID：200907001577295545   Nikkaji number：J2.502.711F

10-(5′-Uridyl)-7-[2-oxo-2-(2-oxo-4,6-dimethyl-2H-1-benzopyran-7-yl)ethyl]-1,4,7,10-tetraazacyclododecane-1,4-bis(acetic acid ethyl) ester

10-(5′-ウリジル)-7-[2-オキソ-2-(2-オキソ-4,6-ジメチル-2H-1-ベンゾピラン-7-イル)エチル]-1,4,7,10-テトラアザシクロドデカン-1,4-ビス(酢酸エチル)
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： C38H52N6O12
Molecular formula furigana： C38-H52-N6-O12
Molecular weight： 784.864
InChI： InChI=1S/C38H52N6O12/c1-5-53-33(48)22-42-13-10-40(20-28(45)26-19-29-27(17-24(26)3)25(4)18-32(47)55-29)9-11-41(12-14-43(16-15-42)23-34(49)54-6-2)21-30-35(50)36(51)37(56-30)44-8-7-31(46)39-38(44)52/h7-8,17-19,30,35-37,50-51H,5-6,9-16,20-23H2,1-4H3,(H,39,46,52)/t30-,35-,36-,37-/m1/s1
InChI key： IHMKILGZQOVCGE-VLWRAOCRSA-N
SMILES： CCOC(=O)CN1CCN(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)CCN(CC(=O)c2cc3oc(=O)cc(C)c3cc2C)CCN(CC(=O)OCC)CC1
Systematic name  (3)：
  • 10-(5′-ウリジル)-7-[2-オキソ-2-(2-オキソ-4,6-ジメチル-2H-1-ベンゾピラン-7-イル)エチル]-1,4,7,10-テトラアザシクロドデカン-1,4-ビス(酢酸エチル)
  • エチル 2-{4-[2-(4,6-ジメチル-2-オキソ-2H-クロメン-7-イル)-2-オキソエチル]-7-{[(2R,3S,4R,5R)-5-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-3,4-ジヒドロキシオキソラン-2-イル]メチル}-10-(2-エトキシ-2-オキソエチル)-1,4,7,10-テトラアザシクロドデカン-1-イル}アセタート
  • ethyl 2-{4-[2-(4,6-dimethyl-2-oxo-2H-chromen-7-yl)-2-oxoethyl]-7-{[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-10-(2-ethoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl}acetate
Other name (1)：
  • 10-(5′-Uridyl)-7-[2-oxo-2-(2-oxo-4,6-dimethyl-2H-1-benzopyran-7-yl)ethyl]-1,4,7,10-tetraazacyclododecane-1,4-bis(acetic acid ethyl) ester
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