Chem
J-GLOBAL ID：200907004264578782   Nikkaji number：J2.036.281B

N-Isobutyryl-3′-O-[(diisopropylamino)[4-(methylthio)butoxy]phosphino]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyguanosine

N-イソブチリル-3′-O-[(ジイソプロピルアミノ)[4-(メチルチオ)ブトキシ]ホスフィノ]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシグアノシン
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： C46H61N6O8PS
Molecular formula furigana： C46-H61-N6-O8-P-S
Molecular weight： 889.060
InChI： InChI=1S/C46H61N6O8PS/c1-30(2)43(53)49-45-48-42-41(44(54)50-45)47-29-51(42)40-27-38(60-61(52(31(3)4)32(5)6)58-25-13-14-26-62-9)39(59-40)28-57-46(33-15-11-10-12-16-33,34-17-21-36(55-7)22-18-34)35-19-23-37(56-8)24-20-35/h10-12,15-24,29-32,38-40H,13-14,25-28H2,1-9H3,(H2,48,49,50,53,54)/t38-,39+,40+,61?/m0/s1
InChI key： XNVDXACNOQUNOY-RWBXVDCNSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCCCSC)N(C(C)C)C(C)C)n1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • N-イソブチリル-3′-O-[(ジイソプロピルアミノ)[4-(メチルチオ)ブトキシ]ホスフィノ]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシグアノシン
  • N-{9-[(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-{[10-メチル-9-(プロパン-2-イル)-7-オキサ-2-チア-9-アザ-8-ホスファウンデカン-8-イル]オキシ}オキソラン-2-イル]-6-オキソ-6,9-ジヒドロ-1H-プリン-2-イル}-2-メチルプロパンアミド
  • N-{9-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-{[10-methyl-9-(propan-2-yl)-7-oxa-2-thia-9-aza-8-phosphaundecan-8-yl]oxy}oxolan-2-yl]-6-oxo-6,9-dihydro-1H-purin-2-yl}-2-methylpropanamide
Other name (1)：
  • N-Isobutyryl-3′-O-[(diisopropylamino)[4-(methylthio)butoxy]phosphino]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyguanosine
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