S-(2-(3-((2R)-4-(((((((2S,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 2,6-dimethylheptanethioate

Catalog No. :
ACDPCU628
CAS No. :
204120-64-9
Molecular Formula :
C30H52N7O17P3S
Molecular Weight :
907.77

IUPAC Name:S-(2-(3-((2R)-4-(((((((2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 2,6-dimethylheptanethioate

S-(2-(3-((2R)-4-(((((((2S,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 2,6-dimethylheptanethioate structure diagram
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Product Information

Product NameS-(2-(3-((2R)-4-(((((((2S,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 2,6-dimethylheptanethioate
IUPAC NameS-(2-(3-((2R)-4-(((((((2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 2,6-dimethylheptanethioate
Molecular FormulaC30H52N7O17P3S
Molecular Weight907.77
SMILESCC(C)CCCC(C)C(SCCNC(CCNC([C@H](O)C(C)(C)COP(O)(OP(O)(OC[C@@H]1O[C@H](N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1OP(O)(O)=O)=O)=O)=O)=O)=O
InChI KeyGPXWBKWDXPBLKS-NURXLIPHSA-N
Synonym2,6-dimethylheptanoyl-CoA;2,6-Dimethylheptanoyl-CoA DISCONTINUED. Please see D487078;Coenzyme A, S-(2,6-dimethylheptanoate)
CAS No.204120-64-9

Synthetic Route by SureRoute

1. ACDPCU628 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACDPCU628 route product structure diagram
    ACDPCU628204120-64-9
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2. ACDPCU628 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACDPCU628 route product structure diagram
    ACDPCU628204120-64-9
Inquiry

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