3JT

(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide


Toggle HydrogenToggle Labels

Chemical Component Summary

Name(4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide
Identifiers(2S,4R)-1-(3,3-dimethylbutanoyl)-4-oxidanyl-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
FormulaC21 H27 N3 O3 S
Molecular Weight401.522
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cncs3)O
InChIInChI=1S/C21H27N3O3S/c1-21(2,3)9-19(26)24-12-16(25)8-17(24)20(27)23-10-14-4-6-15(7-5-14)18-11-22-13-28-18/h4-7,11,13,16-17,25H,8-10,12H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
InChIKeyZFCSIIZHOAAIJZ-SJORKVTESA-N

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count2
Bond Count57
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 77232225
ChEMBL CHEMBL3344078