I5U

N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide



Chemical Component Summary

NameN',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
IdentifiersN'-[3-[[(2R)-1-azanyl-3-[[3-[(C-thiophen-2-ylcarbonimidoyl)amino]phenyl]methoxy]propan-2-yl]oxymethyl]phenyl]thiophene-2-carboximidamide
FormulaC27 H29 N5 O2 S2
Molecular Weight519.681
TypeNON-POLYMER
Isomeric SMILES[H]/N=C(\c1cccs1)/Nc2cccc(c2)COC[C@@H](CN)OCc3cccc(c3)/N=C(\c4cccs4)/N
InChIInChI=1S/C27H29N5O2S2/c28-15-23(34-17-20-6-2-8-22(14-20)32-27(30)25-10-4-12-36-25)18-33-16-19-5-1-7-21(13-19)31-26(29)24-9-3-11-35-24/h1-14,23H,15-18,28H2,(H2,29,31)(H2,30,32)/t23-/m1/s1
InChIKeyKEUPBLDQGUHFOB-HSZRJFAPSA-N

Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count1
Bond Count68
Aromatic Bond Count22

Related Resource References

Resource NameReference
PubChem 76936797
ChEMBL CHEMBL3325609