Nafenopin-coenzyme A
[CAS# 112195-81-0]

Identification

• Name: Nafenopin-coenzyme A
• Synonyms: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] 2-Methyl-2-(4-Tetralin-1-Ylphenoxy)Propanethioate; 2-Methyl-2-[4-(1-Tetralinyl)Phenoxy]Propanethioic Acid S-[2-[[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]Ethyl] Ester; 2-Methyl-2-(4-Tetralin-1-Ylphenoxy)Propanethioic Acid S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] Ester
• Molecular Formula: C₄₁H₅₆N₇O₁₈P₃S
• Molecular Weight: 1059.91
• CAS Registry Number: 112195-81-0
• SMILES: [C@@H]1(O)[C@H](O[P](O)(O)=O)[C@H](O[C@H]1[N]3C2=C(C(=NC=N2)N)N=C3)CO[P](O[P](OCC(C)(C)[C@H](C(NCCC(NCCSC(C(OC4=CC=C(C=C4)C5CCCC6=C5C=CC=C6)(C)C)=O)=O)=O)O)(=O)O)(=O)O
• InChI: 1S/C41H56N7O18P3S/c1-40(2,21-62-69(59,60)66-68(57,58)61-20-29-33(65-67(54,55)56)32(50)38(63-29)48-23-47-31-35(42)45-22-46-36(31)48)34(51)37(52)44-17-16-30(49)43-18-19-70-39(53)41(3,4)64-26-14-12-25(13-15-26)28-11-7-9-24-8-5-6-10-27(24)28/h5-6,8,10,12-15,22-23,28-29,32-34,38,50-51H,7,9,11,16-21H2,1-4H3,(H,43,49)(H,44,52)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t28?,29-,32-,33-,34+,38-/m1/s1
• InChIKey: MUIWZLHYOXABMT-WFSMWQGZSA-N