I02

3-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-N-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE


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Chemical Component Summary

Name3-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-N-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE
Identifiers3-[5-[(2R)-2-amino-1-phenyl-propan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(methyl-methylsulfonyl-amino)benzamide
FormulaC28 H30 F N5 O4 S
Molecular Weight551.632
TypeNON-POLYMER
Isomeric SMILESC[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)c3nnc(o3)[C@@](C)(Cc4ccccc4)N
InChIInChI=1S/C28H30FN5O4S/c1-18(20-10-12-23(29)13-11-20)31-25(35)21-14-22(16-24(15-21)34(3)39(4,36)37)26-32-33-27(38-26)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,35)/t18-,28-/m1/s1
InChIKeyQEJSJQVKMSAHHX-KWMCUTETSA-N

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count2
Bond Count72
Aromatic Bond Count24

Related Resource References

Resource NameReference
Pharos CHEMBL219601
PubChem 11692473
ChEMBL CHEMBL219601