F2I

N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE


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Chemical Component Summary

NameN'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
IdentifiersN'-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodophenyl)methylamino]butan-2-yl]-5-methyl-N,N-dipropyl-benzene-1,3-dicarboxamide
FormulaC32 H38 F2 I N3 O3
Molecular Weight677.564
TypeNON-POLYMER
Isomeric SMILESCCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)I)O)C
InChIInChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1
InChIKeyFSQSHDXWJKXBPP-XZWHSSHBSA-N

Chemical Details

Formal Charge0
Atom Count79
Chiral Atom Count2
Bond Count81
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL373533
PubChem 11628951
ChEMBL CHEMBL373533