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Substance Name: 3'-Adenylic acid, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxy-N-(2-methyl-1-oxopropyl)guanylyl-(3'.5')-N-benzoyl-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester
RN: 69679-23-8
InChIKey: XYUJHNHZNBBSAK-DTVMXBHISA-N

Molecular Formula

  • C67-H63-Cl2-N11-O16-P2

Molecular Weight

  • 1411.1497
 
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Names and Synonyms

Synonym

  • EINECS 274-079-7

Systematic Name

  • 3'-Adenylic acid, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxy-N-(2-methyl-1-oxopropyl)guanylyl-(3'.5')-N-benzoyl-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester

Registry Numbers

CAS Registry Number

  • 69679-23-8

System Generated Number

  • 0069679238

Structure Descriptors

InChI

1S/C67H63Cl2N11O16P2/c1-41(2)63(81)77-66-76-62-59(65(83)78-66)74-40-80(62)57-34-52(54(91-57)36-88-67(43-14-9-6-10-15-43,44-16-24-48(86-3)25-17-44)45-18-26-49(87-4)27-19-45)96-98(85,94-51-30-22-47(69)23-31-51)90-37-55-53(95-97(84,89-33-11-32-70)93-50-28-20-46(68)21-29-50)35-56(92-55)79-39-73-58-60(71-38-72-61(58)79)75-64(82)42-12-7-5-8-13-42/h5-10,12-31,38-41,52-57H,11,33-37H2,1-4H3,(H,71,72,75,82)(H2,76,77,78,81,83)/t52-,53-,54+,55+,56+,57+,97?,98?/m0/s1

InChIKey

XYUJHNHZNBBSAK-DTVMXBHISA-N

Smiles

CC(C)C(=O)Nc1[nH]c(=O)c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COC(c4ccccc4)(c5ccc(cc5)OC)c6ccc(cc6)OC)OP(=O)(OC[C@@H]7[C@H](C[C@@H](O7)n8cnc9c8ncnc9NC(=O)c1ccccc1)OP(=O)(OCCC#N)Oc1ccc(cc1)Cl)Oc1ccc(cc1)Cl