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CAS: 474903-10-1

Name: (R)-3-hydroxy-5-(4-fluorophenyl)valeryl CoA

IUPAC: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3R)-5-(4-fluorophenyl)-3-hydroxypentanethioate

SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCc1ccc(F)cc1

Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(CCC4=CC=C(C=C4)F)O)O

Summenformel: C32H47FN7O18P3S

Molare Masse: 961.70

InChIKey: LTOLHVBXPABOHF-MAWALYKISA-N

InChI: InChI=1S/C32H47FN7O18P3S/c1-32(2,27(45)30(46)36-10-9-22(42)35-11-12-62-23(43)13-20(41)8-5-18-3-6-19(33)7-4-18)15-55-61(52,53)58-60(50,51)54-14-21-26(57-59(47,48)49)25(44)31(56-21)40-17-39-24-28(34)37-16-38-29(24)40/h3-4,6-7,16-17,20-21,25-27,31,41,44-45H,5,8-15H2,1-2H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t20-,21-,25-,26-,27+,31-/m1/s1

PubChem CID: 86588297 →

Synonyme

474903-10-1orb3022210LTOLHVBXPABOHF-MAWALYKISA-NTXB-00735(R)-3-hydroxy-5-(4-fluorophenyl)valeryl CoA(R)-3-Hydroxy-5-(4-fluorophenyl)valeryl-CoA(R)-3-hydroxy-5-(4-fluorophenyl) valeryl CoA

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