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N-Benzoyl-8-(2-[2,2'-bipyridin]-5-ylethynyl)-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxyadenosine

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Catalog No. : NC39807

CAS No. :

Product Level :

Brand : NewCan Bio

Molecular Formula : C₅₀H₄₁N₇O₆

Chemical Name : N-Benzoyl-8-(2-[2,2'-bipyridin]-5-ylethynyl)-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxyadenosine

Molecular Weight : 835.90

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Basic information

Standard English name
Cas No.
Alias	N-(8-([2,2'-bipyridin]-5-ylethynyl)-9-((2R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide
Canonical Smiles	COC1C=CC(=CC=1)C(OC[C@H]1O[C@H](C[C@@H]1O)N1C2=NC=NC(NC(=O)C3C=CC=CC=3)=C2N=C1C#CC1=CN=C(C=C1)C1C=CC=CN=1)(C1C=CC=CC=1)C1C=CC(=CC=1)OC
MDL No.
Exact Mass	835.31183
Smiles	O[C@@H](C[C@H](N1C(C#CC2=CN=C(C3=NC=CC=C3)C=C2)=NC4=C(N=CN=C41)NC(C5=CC=CC=C5)=O)O6)[C@H]6COC(C7=CC=C(OC)C=C7)(C8=CC=C(OC)C=C8)C9=CC=CC=C9

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Inchi	InChI=1S/C50H41N7O6/c1-60-38-22-18-36(19-23-38)50(35-13-7-4-8-14-35,37-20-24-39(61-2)25-21-37)62-31-43-42(58)29-45(63-43)57-44(27-17-33-16-26-41(52-30-33)40-15-9-10-28-51-40)55-46-47(53-32-54-48(46)57)56-49(59)34-11-5-3-6-12-34/h3-16,18-26,28,30,32,42-43,45,58H,29,31H2,1-2H3,(H,53,54,56,59)/t42-,43+,45+/m0/s1
InchiKey	MHWDNTVBHHCUFX-APWFDEKCSA-N
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