Chemical Component Summary

NameMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE
SynonymsFXV673
Identifiers[amino-[3-[(2R,3R)-2-methoxycarbonyl-3-[[4-(1-oxidopyridin-1-ium-4-yl)phenyl]carbonylamino]butyl]phenyl]methylidene]azanium
FormulaC25 H27 N4 O4
Molecular Weight447.506
TypeNON-POLYMER
Isomeric SMILESC[C@H]([C@@H](Cc1cccc(c1)C(=[NH2+])N)C(=O)OC)NC(=O)c2ccc(cc2)c3cc[n+](cc3)[O-]
InChIInChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/p+1/t16-,22-/m1/s1
InChIKeyPFGVNLZDWRZPJW-OPAMFIHVSA-O

Chemical Details

Formal Charge1
Atom Count60
Chiral Atom Count2
Bond Count62
Aromatic Bond Count19

Related Resource References

Resource NameReference
PubChem 6323322