Home > Product Catalog > Product category > Nucleoside > (5'R)-5'-O-(5-Amino-2,5-dideoxy-β-D-erythro-pentofuranosyl)-5'-C-[(2S,5S,6S)-6-[[N-[[3,4-bis(heptyloxy)phenyl]methyl]-β-alanyl-β-alanyl]oxy]-5-carboxyhexahydro-1,4-dimethyl-3-oxo-1H-1,4-diazepin-2-yl]-2'-deoxyuridine

(5'R)-5'-O-(5-Amino-2,5-dideoxy-β-D-erythro-pentofuranosyl)-5'-C-[(2S,5S,6S)-6-[[N-[[3,4-bis(heptyloxy)phenyl]methyl]-β-alanyl-β-alanyl]oxy]-5-carboxyhexahydro-1,4-dimethyl-3-oxo-1H-1,4-diazepin-2-yl]-2'-deoxyuridine

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Catalog No. : NC195064

CAS No. : 2416233-21-9

Product Level :

Brand : NewCan Bio

Molecular Formula : C₄₉H₇₇N₇O₁₅

Chemical Name : (5'R)-5'-O-(5-Amino-2,5-dideoxy-β-D-erythro-pentofuranosyl)-5'-C-[(2S,5S,6S)-6-[[N-[[3,4-bis(heptyloxy)phenyl]methyl]-β-alanyl-β-alanyl]oxy]-5-carboxyhexahydro-1,4-dimethyl-3-oxo-1H-1,4-diazepin-2-yl]-2'-deoxyuridine

Molecular Weight : 1,004.17

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Basic information

Standard English name
Cas No.	2416233-21-9
Alias	(2S,5S,6S)-2-((R)-(((2S,4S,5R)-5-(aminomethyl)-4-hydroxytetrahydrofuran-2-yl)oxy)((2S,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl)-6-((3-(3-((3,4-bis(heptyloxy)benzyl)amino)propanamido)propanoyl)oxy)-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
Canonical Smiles	CN1C[C@H](OC(=O)CCNC(=O)CCNCC2C=C(OCCCCCCC)C(=CC=2)OCCCCCCC)[C@@H](C(O)=O)N(C)C(=O)[C@@H]1[C@@H](O[C@H]1C[C@H](O)[C@@H](CN)O1)[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)NC1=O
MDL No.
Exact Mass	1,003.54777
Smiles	O[C@@H](C[C@H](N1C(NC(C=C1)=O)=O)O2)[C@H]2[C@@H]([C@@H]3N(C)C[C@H](OC(CCNC(CCNCC4=CC=C(OCCCCCCC)C(OCCCCCCC)=C4)=O)=O)[C@@H](C(O)=O)N(C)C3=O)O[C@H]5C[C@@H]([C@@H](CN)O5)O

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Inchi	InChI=1S/C49H77N7O15/c1-5-7-9-11-13-23-66-34-16-15-31(25-35(34)67-24-14-12-10-8-6-2)29-51-20-17-38(59)52-21-18-41(61)68-37-30-54(3)44(47(62)55(4)43(37)48(63)64)46(71-42-27-32(57)36(28-50)69-42)45-33(58)26-40(70-45)56-22-19-39(60)53-49(56)65/h15-16,19,22,25,32-33,36-37,40,42-46,51,57-58H,5-14,17-18,20-21,23-24,26-30,50H2,1-4H3,(H,52,59)(H,63,64)(H,53,60,65)/t32-,33-,36+,37-,40+,42-,43-,44-,45-,46+/m0/s1
InchiKey	YLISZQPIEODVLS-WJSVZONKSA-N
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