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N-Des-(4,4-difluorocyclohexanecarboxy)-N-carbobenzyloxy-3-hydroxymethyl Maraviroc
For research use only. Not for therapeutic Use.
Catalog Number | R056175 |
CAS Number | 1391048-08-0 |
Molecular Formula | C30H39N5O3 |
Purity | ≥95% |
Storage | -20°C |
IUPAC Name | benzyl N-[(1S)-3-[3-[3-(hydroxymethyl)-5-propan-2-yl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]carbamate |
InChI | InChI=1S/C30H39N5O3/c1-21(2)29-33-32-28(19-36)35(29)26-17-24-13-14-25(18-26)34(24)16-15-27(23-11-7-4-8-12-23)31-30(37)38-20-22-9-5-3-6-10-22/h3-12,21,24-27,36H,13-20H2,1-2H3,(H,31,37)/t24?,25?,26?,27-/m0/s1 |
InChIKey | MKWWGVJJZRTVOC-GVHAAITQSA-N |
SMILES | CC(C)C1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)CO |