CS5

N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)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-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
IdentifiersN'-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-methyl-N,N-dipropyl-benzene-1,3-dicarboxamide
FormulaC33 H41 F2 N3 O4
Molecular Weight581.693
TypeNON-POLYMER
Isomeric SMILESCCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C
InChIInChI=1S/C33H41F2N3O4/c1-5-10-38(11-6-2)33(41)26-13-22(3)12-25(18-26)32(40)37-30(17-24-14-27(34)19-28(35)15-24)31(39)21-36-20-23-8-7-9-29(16-23)42-4/h7-9,12-16,18-19,30-31,36,39H,5-6,10-11,17,20-21H2,1-4H3,(H,37,40)/t30-,31+/m0/s1
InChIKeyJEEOUWBWJFSMIP-IOWSJCHKSA-N

Chemical Details

Formal Charge0
Atom Count83
Chiral Atom Count2
Bond Count85
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL221597
PubChem 9916309
ChEMBL CHEMBL221597