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Substance Name: 3'-Adenylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxyadenylyl-(3'.5')-N-benzoyl-2'-deoxy-,4-chlorophenyl 2-cyanoethyl ester
RN: 71459-59-1
InChIKey: OKWZLCMAIDZXFN-XELHUNASSA-N

Molecular Formula

  • C70-H61-Cl2-N11-O15-P2

Molecular Weight

  • 1429.1679
 
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Names and Synonyms

Synonym

  • EINECS 275-468-4

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71459-59-1

System Generated Number

  • 0071459591

Structure Descriptors

InChI

1S/C70H61Cl2N11O15P2/c1-88-52-27-19-48(20-28-52)70(47-17-10-5-11-18-47,49-21-29-53(89-2)30-22-49)90-39-58-56(37-60(93-58)82-43-78-62-64(74-41-76-66(62)82)80-68(84)45-13-6-3-7-14-45)98-100(87,96-55-33-25-51(72)26-34-55)92-40-59-57(97-99(86,91-36-12-35-73)95-54-31-23-50(71)24-32-54)38-61(94-59)83-44-79-63-65(75-42-77-67(63)83)81-69(85)46-15-8-4-9-16-46/h3-11,13-34,41-44,56-61H,12,36-40H2,1-2H3,(H,74,76,80,84)(H,75,77,81,85)/t56-,57-,58+,59+,60+,61+,99?,100?/m0/s1

InChIKey

OKWZLCMAIDZXFN-XELHUNASSA-N

Smiles

COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5ncnc6NC(=O)c7ccccc7)OP(=O)(OC[C@@H]8[C@H](C[C@@H](O8)n9cnc1c9ncnc1NC(=O)c1ccccc1)OP(=O)(OCCC#N)Oc1ccc(cc1)Cl)Oc1ccc(cc1)Cl