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5-[3-[2-[(2-Aminoacetyl)amino]ethoxy]-1-propyn-1-yl]-2',3'-dideoxycytidine 5'-(tetrahydrogen triphosphate)

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Catalog No. : NC276131

CAS No. : 1801556-30-8

Product Level :

Brand : NewCan Bio

Molecular Formula : C₁₆H₂₆N₅O₁₄P₃

Chemical Name : 5-[3-[2-[(2-Aminoacetyl)amino]ethoxy]-1-propyn-1-yl]-2',3'-dideoxycytidine 5'-(tetrahydrogen triphosphate)

Molecular Weight : 605.32

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Basic information

Standard English name
Cas No.	1801556-30-8
Alias	(((2S,5R)-5-(4-amino-5-(3-(2-(2-aminoacetamido)ethoxy)prop-1-yn-1-yl)-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl)triphosphoric acid
Canonical Smiles	NC1=NC(=O)N(C=C1C#CCOCCNC(=O)CN)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
MDL No.
Exact Mass	605.06891
Smiles	O=C(N=C(C(C#CCOCCNC(CN)=O)=C1)N)N1[C@H](O2)CC[C@H]2COP(O)(OP(OP(O)(O)=O)(O)=O)=O

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Inchi	InChI=1S/C16H26N5O14P3/c17-8-13(22)19-5-7-31-6-1-2-11-9-21(16(23)20-15(11)18)14-4-3-12(33-14)10-32-37(27,28)35-38(29,30)34-36(24,25)26/h9,12,14H,3-8,10,17H2,(H,19,22)(H,27,28)(H,29,30)(H2,18,20,23)(H2,24,25,26)/t12-,14+/m0/s1
InchiKey	CBTAFSJVUWZVGK-GXTWGEPZSA-N
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