Chem
J-GLOBAL ID：200907091676913063
Nikkaji number：J1.832.276E
3′-(2-Ethoxy-3,4-dioxo-1-cyclobutenylamino)-5′-O-(4,4′-dimethoxytrityl)-3′-deoxythymidine
3′-(2-エトキシ-3,4-ジオキソ-1-シクロブテニルアミノ)-5′-O-(4,4′-ジメトキシトリチル)-3′-デオキシチミジン
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
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
Molecular formula： C37H37N3O9
Molecular formula furigana： C37-H37-N3-O9
Molecular weight： 667.715
InChI：
InChI=1S/C37H37N3O9/c1-5-47-34-31(32(41)33(34)42)38-28-19-30(40-20-22(2)35(43)39-36(40)44)49-29(28)21-48-37(23-9-7-6-8-10-23,24-11-15-26(45-3)16-12-24)25-13-17-27(46-4)18-14-25/h6-18,20,28-30,38H,5,19,21H2,1-4H3,(H,39,43,44)/t28-,29+,30+/m0/s1
InChI key：
VDEJLWQTTVOENR-FRXPANAUSA-N
SMILES：
CCOC1=C(N[C@H]2C[C@@H](O[C@@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)n2cc(C)c(=O)[nH]c2=O)C(=O)C1=O
Systematic name (3)：
- 3′-(2-エトキシ-3,4-ジオキソ-1-シクロブテニルアミノ)-5′-O-(4,4′-ジメトキシトリチル)-3′-デオキシチミジン
- 1-[(2R,4S,5S)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-[(2-エトキシ-3,4-ジオキソシクロブタ-1-エン-1-イル)アミノ]オキソラン-2-イル]-5-メチル-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
- 1-[(2R,4S,5S)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-[(2-ethoxy-3,4-dioxocyclobut-1-en-1-yl)amino]oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
- 3′-(2-Ethoxy-3,4-dioxo-1-cyclobutenylamino)-5′-O-(4,4′-dimethoxytrityl)-3′-deoxythymidine
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