Chem
J-GLOBAL ID：200907085693931113
Nikkaji number：J1.498.739H
5-[3-(4-Oxo-4-hydroxybutyrylamino)-1-propynyl]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyuridine
5-[3-(4-オキソ-4-ヒドロキシブチリルアミノ)-1-プロピニル]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシウリジン
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： C37H37N3O10
Molecular formula furigana： C37-H37-N3-O10
Molecular weight： 683.714
InChI：
InChI=1S/C37H37N3O10/c1-47-28-14-10-26(11-15-28)37(25-8-4-3-5-9-25,27-12-16-29(48-2)17-13-27)49-23-31-30(41)21-33(50-31)40-22-24(35(45)39-36(40)46)7-6-20-38-32(42)18-19-34(43)44/h3-5,8-17,22,30-31,33,41H,18-21,23H2,1-2H3,(H,38,42)(H,43,44)(H,39,45,46)/t30-,31+,33+/m0/s1
InChI key：
NJKWWBFURHSQCR-RKKDRKJOSA-N
SMILES：
COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#CCNC(=O)CCC(=O)O)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name (3)：
- 5-[3-(4-オキソ-4-ヒドロキシブチリルアミノ)-1-プロピニル]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシウリジン
- 3-[(3-{1-[(2R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-ヒドロキシオキソラン-2-イル]-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-5-イル}プロパ-2-イン-1-イル)カルバモイル]プロパン酸
- 3-[(3-{1-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-hydroxyoxolan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}prop-2-yn-1-yl)carbamoyl]propanoic acid
- 5-[3-(4-Oxo-4-hydroxybutyrylamino)-1-propynyl]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyuridine
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