Home > Product Catalog > Product category > Nucleotide > 5-[5-[1-[2-[[3,5-Bis[[1-oxo-4-[(triphenylmethyl)thio]butyl]amino]benzoyl]amino]ethyl]-1H-1,2,3-triazol-4-yl]-1-pentyn-1-yl]-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)

5-[5-[1-[2-[[3,5-Bis[[1-oxo-4-[(triphenylmethyl)thio]butyl]amino]benzoyl]amino]ethyl]-1H-1,2,3-triazol-4-yl]-1-pentyn-1-yl]-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)

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Catalog No. : NC276956

CAS No. : 1797439-76-9

Product Level :

Brand : NewCan Bio

Molecular Formula : C₇₁H₇₃N₈O₁₇P₃S₂

Chemical Name : 5-[5-[1-[2-[[3,5-Bis[[1-oxo-4-[(triphenylmethyl)thio]butyl]amino]benzoyl]amino]ethyl]-1H-1,2,3-triazol-4-yl]-1-pentyn-1-yl]-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)

Molecular Weight : 1,467.43

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Basic information

Standard English name
Cas No.	1797439-76-9
Alias	(((2R,3S,5R)-5-(5-(5-(1-(2-(3,5-bis(4-(tritylthio)butanamido)benzamido)ethyl)-1H-1,2,3-triazol-4-yl)pent-1-yn-1-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
Canonical Smiles	OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(C#CCCCC2=CN(CCNC(=O)C3C=C(C=C(C=3)NC(=O)CCCSC(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC=CC=3)NC(=O)CCCSC(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC=CC=3)N=N2)C(=O)NC1=O
MDL No.
Exact Mass	1,466.37479
Smiles	O[C@@H](C[C@H](N1C(NC(C(C#CCCCC2=CN(CCNC(C3=CC(NC(CCCSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)=O)=CC(NC(CCCSC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)=O)=C3)=O)N=N2)=C1)=O)=O)O%10)[C@H]%10COP(O)(OP(OP(O)(O)=O)(O)=O)=O

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Inchi	InChI=1S/C71H73N8O17P3S2/c80-62-47-66(94-63(62)50-93-98(89,90)96-99(91,92)95-97(86,87)88)79-48-51(68(84)75-69(79)85)24-8-1-21-37-59-49-78(77-76-59)41-40-72-67(83)52-44-60(73-64(81)38-22-42-100-70(53-25-9-2-10-26-53,54-27-11-3-12-28-54)55-29-13-4-14-30-55)46-61(45-52)74-65(82)39-23-43-101-71(56-31-15-5-16-32-56,57-33-17-6-18-34-57)58-35-19-7-20-36-58/h2-7,9-20,25-36,44-46,48-49,62-63,66,80H,1,21-23,37-43,47,50H2,(H,72,83)(H,73,81)(H,74,82)(H,89,90)(H,91,92)(H,75,84,85)(H2,86,87,88)/t62-,63+,66+/m0/s1
InchiKey	OXMMDVNTCIQPFA-WKLVCYDYSA-N
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