Chemical Component Summary

NameN-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide
Identifiers~{N}-[(2~{R})-3-[4-[3-(4-chlorophenyl)propanoylamino]phenyl]-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-4-methyl-pentanamide
FormulaC30 H40 Cl N3 O3
Molecular Weight526.11
TypeNON-POLYMER
Isomeric SMILESCC1CCN(CC1)C(=O)[C@@H](Cc2ccc(cc2)NC(=O)CCc3ccc(cc3)Cl)NC(=O)CCC(C)C
InChIInChI=1S/C30H40ClN3O3/c1-21(2)4-14-29(36)33-27(30(37)34-18-16-22(3)17-19-34)20-24-7-12-26(13-8-24)32-28(35)15-9-23-5-10-25(31)11-6-23/h5-8,10-13,21-22,27H,4,9,14-20H2,1-3H3,(H,32,35)(H,33,36)/t27-/m1/s1
InChIKeyLEQKKFVJROREDY-HHHXNRCGSA-N

Chemical Details

Formal Charge0
Atom Count77
Chiral Atom Count1
Bond Count79
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 91755081