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Substance Name: 3'-Guanylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(2-chlorophenyl)-2'-deoxycytidylyl-(3'.5')-2'-deoxy-N-(2-methyl-1-oxopropyl)-, 2-chlorophenyl 2-cyanoethyl ester
RN: 78111-51-0
InChIKey: NDXFDNOPZVWQLM-NMQWXPMXSA-N

Molecular Formula

  • C66-H63-Cl2-N9-O17-P2

Molecular Weight

  • 1387.1237
 
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Names and Synonyms

Synonym

  • EINECS 278-843-0

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78111-51-0

System Generated Number

  • 0078111510

Structure Descriptors

InChI

1S/C66H63Cl2N9O17P2/c1-41(2)61(78)74-64-73-60-59(63(80)75-64)70-40-77(60)58-37-53(93-95(82,87-35-15-33-69)91-50-22-13-11-20-48(50)67)55(90-58)39-88-96(83,92-51-23-14-12-21-49(51)68)94-52-36-57(76-34-32-56(72-65(76)81)71-62(79)42-16-7-5-8-17-42)89-54(52)38-86-66(43-18-9-6-10-19-43,44-24-28-46(84-3)29-25-44)45-26-30-47(85-4)31-27-45/h5-14,16-32,34,40-41,52-55,57-58H,15,35-39H2,1-4H3,(H,71,72,79,81)(H2,73,74,75,78,80)/t52-,53-,54+,55+,57+,58+,95?,96?/m0/s1

InChIKey

NDXFDNOPZVWQLM-NMQWXPMXSA-N

Smiles

CC(C)C(=O)Nc1[nH]c(=O)c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(Oc4ccccc4Cl)O[C@H]5C[C@@H](O[C@@H]5COC(c6ccccc6)(c7ccc(cc7)OC)c8ccc(cc8)OC)n9ccc(nc9=O)NC(=O)c1ccccc1)OP(=O)(OCCC#N)Oc1ccccc1Cl