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L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-, ester with 5'-O-[(4-methoxyphenyl)diphenylmethyl]-3'-O-methyladenosine

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Catalog No. : NC111811

CAS No. : 54918-34-2

Product Level :

Brand : NewCan Bio

Molecular Formula : C₄₅H₄₈N₆O₈

Chemical Name : L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-, ester with 5'-O-[(4-methoxyphenyl)diphenylmethyl]-3'-O-methyladenosine

Molecular Weight : 800.90

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Basic information

Standard English name
Cas No.	54918-34-2
Alias	(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-methoxy-5-(((4-methoxyphenyl)diphenylmethoxy)methyl)tetrahydrofuran-3-yl (tert-butoxycarbonyl)-L-phenylalaninate
Canonical Smiles	CC(C)(C)OC(=O)N[C@@H](CC1C=CC=CC=1)C(=O)O[C@@H]1[C@H](OC)[C@@H](COC(C2C=CC(=CC=2)OC)(C2C=CC=CC=2)C2C=CC=CC=2)O[C@H]1N1C=NC2=C(N)N=CN=C12
MDL No.
Exact Mass	800.35336
Smiles	NC(N=CN=C12)=C1N=CN2[C@H](O3)[C@H](OC([C@H](CC4=CC=CC=C4)NC(OC(C)(C)C)=O)=O)[C@H](OC)[C@H]3COC(C5=CC=CC=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7

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Inchi	InChI=1S/C45H48N6O8/c1-44(2,3)59-43(53)50-34(25-29-15-9-6-10-16-29)42(52)58-38-37(55-5)35(57-41(38)51-28-49-36-39(46)47-27-48-40(36)51)26-56-45(30-17-11-7-12-18-30,31-19-13-8-14-20-31)32-21-23-33(54-4)24-22-32/h6-24,27-28,34-35,37-38,41H,25-26H2,1-5H3,(H,50,53)(H2,46,47,48)/t34-,35+,37+,38+,41+/m0/s1
InchiKey	PQLSVDUZWPHVLO-GCJHUVJRSA-N
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