Chemical Component Summary

NameN-((3R,5S)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide
IdentifiersN-[(3R,5S)-1-(1-benzofuran-3-ylcarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-ethyl-2-methyl-pyrazole-3-carboxamide
FormulaC23 H27 N5 O4
Molecular Weight437.492
TypeNON-POLYMER
Isomeric SMILESCCc1cc(n(n1)C)C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC
InChIInChI=1S/C23H27N5O4/c1-4-14-10-18(27(3)26-14)22(30)25-15-11-19(21(29)24-5-2)28(12-15)23(31)17-13-32-20-9-7-6-8-16(17)20/h6-10,13,15,19H,4-5,11-12H2,1-3H3,(H,24,29)(H,25,30)/t15-,19+/m1/s1
InChIKeyNCHSTBMDNNMMEJ-BEFAXECRSA-N

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count2
Bond Count62
Aromatic Bond Count15

Related Resource References

Resource NameReference
PubChem 72725792
ChEMBL CHEMBL3125272