Chem
J-GLOBAL ID：200907001673736463   Nikkaji number：J1.870.043C

(3aS,6aβ)-N-[6-[4-[(2-Amino-9H-purine-6-yl)oxymethyl]benzylamino]-6-oxohexyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4α-pentanamide

(3aS,6aβ)-N-[6-[4-[(2-アミノ-9H-プリン-6-イルオキシ)メチル]ベンジルアミノ]-6-オキソヘキシル]-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4α-ペンタンアミド
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： C29H39N9O4S
Molecular formula furigana： C29-H39-N9-O4-S
Molecular weight： 609.750
InChI： InChI=1S/C29H39N9O4S/c30-28-37-26-25(33-17-34-26)27(38-28)42-15-19-11-9-18(10-12-19)14-32-23(40)7-2-1-5-13-31-22(39)8-4-3-6-21-24-20(16-43-21)35-29(41)36-24/h9-12,17,20-21,24H,1-8,13-16H2,(H,31,39)(H,32,40)(H2,35,36,41)(H3,30,33,34,37,38)/t20-,21-,24-/m0/s1
InChI key： KATDWLJFCBSLAZ-HFMPRLQTSA-N
SMILES： Nc1nc(OCc2ccc(CNC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)c2nc[nH]c2n1
Systematic name  (4)：
  • (3aS,6aβ)-N-[6-[4-[(2-アミノ-9H-プリン-6-イルオキシ)メチル]ベンジルアミノ]-6-オキソヘキシル]-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4α-ペンタンアミド
  • (3aS,6aβ)-N-[6-[4-[(2-アミノ-9H-プリン-6-イル)オキシメチル]ベンジルアミノ]-6-オキソヘキシル]ヘキサヒドロ-2-オキソ-1H-チエノ[3,4-d]イミダゾール-4α-ペンタンアミド
  • 6-{5-[(3aS,4S,6aR)-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタンアミド}-N-[(4-{[(2-アミノ-9H-プリン-6-イル)オキシ]メチル}フェニル)メチル]ヘキサンアミド
  • 6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-N-[(4-{[(2-amino-9H-purin-6-yl)oxy]methyl}phenyl)methyl]hexanamide
Other name (2)：
  • (3aS,6aβ)-N-[6-[4-[(2-Amino-9H-purine-6-yloxy)methyl]benzylamino]-6-oxohexyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazole-4α-pentanamide
  • (3aS,6aβ)-N-[6-[4-[(2-Amino-9H-purine-6-yl)oxymethyl]benzylamino]-6-oxohexyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4α-pentanamide
Thsaurus map：
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