[(2R)-4-[3-[4,4,4-tris(fluoranyl)butylsulfonyloxy]phenoxy]-2,3-dihydro-1H-inden-2-yl]methyl (2R)-2-azanyl-3-methyl-butanoate hydrochloride

Systemtic Name: [(2R)-4-[3-[4,4,4-tris(fluoranyl)butylsulfonyloxy]phenoxy]-2,3-dihydro-1H-inden-2-yl]methyl (2R)-2-azanyl-3-methyl-butanoate hydrochloride Openeye Name: [(2R)-4-[3-(4,4,4-trifluorobutylsulfonyloxy)phenoxy]indan-2-yl]methyl (2R)-2-amino-3-methyl-butanoate hydrochloride CAS Name: (2R)-2-amino-3-methylbutanoic acid [(2R)-4-[3-(4,4,4-trifluorobutylsulfonyloxy)phenoxy]-2,3-dihydro-1H-inden-2-yl]methyl ester hydrochloride IUPAC Name: [(2R)-4-[3-(4,4,4-trifluorobutylsulfonyloxy)phenoxy]-2,3-dihydro-1H-inden-2-yl]methyl (2R)-2-amino-3-methylbutanoate hydrochloride Traditional Name: (2R)-2-amino-3-methyl-butyric acid [(2R)-4-[3-(4,4,4-trifluorobutylsulfonyloxy)phenoxy]indan-2-yl]methyl ester hydrochloride Formula: C25H31ClF3NO6S MolecularWeight: 566.02995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1CC2=C(C1)C(=CC=C2)OC3=CC(=CC=C3)OS(=O)(=O)CCCC(F)(F)F)N.Cl

Isomeric SMILES

CC(C)[C@H](C(=O)OC[C@@H]1CC2=C(C1)C(=CC=C2)OC3=CC(=CC=C3)OS(=O)(=O)CCCC(F)(F)F)N.Cl

InChI

InChI=1S/C25H30F3NO6S.ClH/c1-16(2)23(29)24(30)33-15-17-12-18-6-3-9-22(21(18)13-17)34-19-7-4-8-20(14-19)35-36(31,32)11-5-10-25(26,27)28;/h3-4,6-9,14,16-17,23H,5,10-13,15,29H2,1-2H3;1H/t17-,23-;/m1./s1