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Substance Name: 3'-Adenylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(2-chlorophenyl)-2'-deoxyadenylyl-(3'.5')-N-benzoyl-2'-deoxy-,2-chlorophenyl 2-cyanoethyl ester
RN: 75269-16-8
InChIKey: IFRXWAXNYVMYEC-XELHUNASSA-N

Molecular Formula

  • C70-H61-Cl2-N11-O15-P2

Molecular Weight

  • 1429.1679
 
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Names and Synonyms

Synonym

  • EINECS 278-167-6

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 75269-16-8

System Generated Number

  • 0075269168

Structure Descriptors

InChI

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

InChIKey

IFRXWAXNYVMYEC-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)Oc1ccccc1Cl)Oc1ccccc1Cl