6E5

N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide


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Chemical Component Summary

NameN-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide
IdentifiersN-[3-[[(2S,4S)-4-[[3-[(C-thiophen-2-ylcarbonimidoyl)amino]phenyl]methoxy]pyrrolidin-2-yl]methoxymethyl]phenyl]thiophene-2-carboximidamide
FormulaC29 H31 N5 O2 S2
Molecular Weight545.719
TypeNON-POLYMER
Isomeric SMILES[H]/N=C(/c1cccs1)\Nc2cccc(c2)COC[C@@H]3C[C@@H](CN3)OCc4cccc(c4)N/C(=N\[H])/c5cccs5
InChIInChI=1S/C29H31N5O2S2/c30-28(26-9-3-11-37-26)33-22-7-1-5-20(13-22)17-35-19-24-15-25(16-32-24)36-18-21-6-2-8-23(14-21)34-29(31)27-10-4-12-38-27/h1-14,24-25,32H,15-19H2,(H2,30,33)(H2,31,34)/t24-,25-/m0/s1
InChIKeyGPVRORSBZUBDJB-DQEYMECFSA-N

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count2
Bond Count73
Aromatic Bond Count22

Related Resource References

Resource NameReference
PubChem 76936799
ChEMBL CHEMBL3325614