Home > Product Catalog > Product category > Nucleoside > 5'-S-[2-[[6-[[[(3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)amino]thioxomethyl]amino]-1-oxohexyl]amino]ethyl]-N-[[4-[(1-oxopropyl)amino]phenyl]methyl]-5'-thioadenosine

5'-S-[2-[[6-[[[(3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)amino]thioxomethyl]amino]-1-oxohexyl]amino]ethyl]-N-[[4-[(1-oxopropyl)amino]phenyl]methyl]-5'-thioadenosine

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Catalog No. : NC371091

CAS No. : 1240043-93-9

Product Level :

Brand : NewCan Bio

Molecular Formula : C₄₉H₅₁N₉O₁₀S₂

Chemical Name : 5'-S-[2-[[6-[[[(3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)amino]thioxomethyl]amino]-1-oxohexyl]amino]ethyl]-N-[[4-[(1-oxopropyl)amino]phenyl]methyl]-5'-thioadenosine

Molecular Weight : 990.11

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Basic information

Standard English name
Cas No.	1240043-93-9
Alias	6-(3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)thioureido)-N-(2-((((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-((4-propionamidobenzyl)amino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl)thio)ethyl)hexanamide
Canonical Smiles	CCC(=O)NC1C=CC(CNC2N=CN=C3C=2N=CN3[C@@H]2O[C@H](CSCCNC(=O)CCCCCNC(=S)NC3=CC4=C(C=C3)C3(OC4=O)C4C=CC(O)=CC=4OC4C=C(O)C=CC3=4)[C@@H](O)[C@H]2O)=CC=1
MDL No.
Exact Mass	989.32003
Smiles	O[C@@H]([C@H]([C@H](N1C=NC2=C(N=CN=C21)NCC3=CC=C(NC(CC)=O)C=C3)O4)O)[C@H]4CSCCNC(CCCCCNC(NC5=CC6=C(C7(C8=C(OC9=C7C=CC(O)=C9)C=C(O)C=C8)OC6=O)C=C5)=S)=O

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Inchi	InChI=1S/C49H51N9O10S2/c1-2-39(61)56-28-9-7-27(8-10-28)23-52-44-41-45(54-25-53-44)58(26-55-41)46-43(64)42(63)38(67-46)24-70-19-18-50-40(62)6-4-3-5-17-51-48(69)57-29-11-14-33-32(20-29)47(65)68-49(33)34-15-12-30(59)21-36(34)66-37-22-31(60)13-16-35(37)49/h7-16,20-22,25-26,38,42-43,46,59-60,63-64H,2-6,17-19,23-24H2,1H3,(H,50,62)(H,56,61)(H2,51,57,69)(H,52,53,54)/t38-,42-,43-,46-/m1/s1
InchiKey	QNEXCXQJRLJZGF-LSWBLBMOSA-N
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History

NC372952

5-(3-Amino-1-propyn-1-yl)-3'-O-(2-cyanoethyl)-2'-deoxyuridine