Home > Product Catalog > Product category > Nucleotide > 5-[18-Azido-19-[3-[[[2-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethyl]amino]carbonyl]phenoxy]-5,12-dioxo-14,17-dioxa-4,11-diazanonadec-1-yn-1-yl]-2',3'-dideoxyuridine 5'-(tetrahydrogen triphosphate)

5-[18-Azido-19-[3-[[[2-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethyl]amino]carbonyl]phenoxy]-5,12-dioxo-14,17-dioxa-4,11-diazanonadec-1-yn-1-yl]-2',3'-dideoxyuridine 5'-(tetrahydrogen triphosphate)

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Catalog No. : NC336581

CAS No. : 1389323-56-1

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Brand : NewCan Bio

Molecular Formula : C₄₃H₆₂N₁₁O₂₁P₃S

Chemical Name : 5-[18-Azido-19-[3-[[[2-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethyl]amino]carbonyl]phenoxy]-5,12-dioxo-14,17-dioxa-4,11-diazanonadec-1-yn-1-yl]-2',3'-dideoxyuridine 5'-(tetrahydrogen triphosphate)

Molecular Weight : 1,194.00

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Basic information

Standard English name
Cas No.	1389323-56-1
Alias	(((2S,5R)-5-(5-(2-azido-8,15-dioxo-1-(3-((2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)ethyl)carbamoyl)phenoxy)-3,6-dioxa-9,16-diazanonadec-18-yn-19-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl)triphosphoric acid
Canonical Smiles	[N-]=[N+]=NC(COC1=CC=CC(=C1)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)OCCOCC(=O)NCCCCCC(=O)NCC#CC1=CN([C@H]2CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O
MDL No.
Exact Mass	1,193.30553
Smiles	O=C(NC(C(C#CCNC(CCCCCNC(COCCOC(N=[N+]=[N-])COC1=CC=CC(C(NCCNC(CCCC[C@@H]2SC[C@]([C@]2([H])N3)([H])NC3=O)=O)=O)=C1)=O)=O)=C4)=O)N4[C@H](O5)CC[C@H]5COP(O)(OP(OP(O)(O)=O)(O)=O)=O

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Inchi	InChI=1S/C43H62N11O21P3S/c44-53-52-37(26-71-30-10-6-8-28(22-30)40(58)48-19-18-47-35(56)13-4-3-11-33-39-32(27-79-33)49-42(60)50-39)70-21-20-69-25-36(57)46-16-5-1-2-12-34(55)45-17-7-9-29-23-54(43(61)51-41(29)59)38-15-14-31(73-38)24-72-77(65,66)75-78(67,68)74-76(62,63)64/h6,8,10,22-23,31-33,37-39H,1-5,11-21,24-27H2,(H,45,55)(H,46,57)(H,47,56)(H,48,58)(H,65,66)(H,67,68)(H2,49,50,60)(H,51,59,61)(H2,62,63,64)/t31-,32-,33-,37?,38+,39-/m0/s1
InchiKey	SRWXQRYNLQOXQA-JUBPZKFTSA-N
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History

NC421742

N-[(Ethylamino)carbonyl]-5'-S-methyl-2',3'-O-[(1S,2E)-3-phenyl-2-propen-1-ylidene]-5'-thioadenosine