NC9

(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium


Toggle HydrogenToggle Labels

Chemical Component Summary

Name(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium
Identifiers2-(4-aminophenyl)-N-[(4-aminophenyl)methyl]-N-[[(3R)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepin-1-ium-3-yl]methyl]ethanamide
FormulaC23 H31 N4 O2
Molecular Weight395.518
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)CO)N
InChIInChI=1S/C23H30N4O2/c24-21-5-1-17(2-6-21)12-23(29)27(14-18-3-7-22(25)8-4-18)15-20-11-19(16-28)9-10-26-13-20/h1-9,20,26,28H,10-16,24-25H2/p+1/t20-/m1/s1
InChIKeyWRSLWDODYIRHLE-HXUWFJFHSA-O

Chemical Details

Formal Charge1
Atom Count60
Chiral Atom Count1
Bond Count62
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 137349794