DJS

2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide


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Chemical Component Summary

Name2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide
Identifiers2-[[(2~{S})-butan-2-yl]amino]-6-methylsulfonyl-~{N}-[(1~{R},2~{S})-1-oxidanyl-3-phenyl-1-[(2~{R})-pyrrolidin-2-yl]propan-2-yl]pyridine-4-carboxamide
FormulaC24 H34 N4 O4 S
Molecular Weight474.616
TypeNON-POLYMER
Isomeric SMILESCC[C@H](C)Nc1cc(cc(n1)S(=O)(=O)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H]([C@H]3CCCN3)O
InChIInChI=1S/C24H34N4O4S/c1-4-16(2)26-21-14-18(15-22(28-21)33(3,31)32)24(30)27-20(13-17-9-6-5-7-10-17)23(29)19-11-8-12-25-19/h5-7,9-10,14-16,19-20,23,25,29H,4,8,11-13H2,1-3H3,(H,26,28)(H,27,30)/t16-,19+,20-,23+/m0/s1
InChIKeyCNZLAHITQXPOEJ-YLTWVVNKSA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count4
Bond Count69
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 131800991
ChEMBL CHEMBL4117641