3-(4-fluorophenyl)-3-[[5-(pyridin-2-ylamino)pentanoylamino]carbamoylamino]propanoic acid

Systemtic Name: 3-(4-fluorophenyl)-3-[[5-(pyridin-2-ylamino)pentanoylamino]carbamoylamino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-3-[[5-(2-pyridylamino)pentanoylamino]carbamoylamino]propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[oxo-[[1-oxo-5-(2-pyridinylamino)pentyl]hydrazo]methyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[[5-(pyridin-2-ylamino)pentanoylamino]carbamoylamino]propanoic acid Traditional Name: 3-(4-fluorophenyl)-3-[[5-(2-pyridylamino)pentanoylamino]carbamoylamino]propionic acid Formula: C20H24FN5O4 MolecularWeight: 417.434063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCCCC(=O)NNC(=O)NC(CC(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CC=NC(=C1)NCCCCC(=O)NNC(=O)NC(CC(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H24FN5O4/c21-15-9-7-14(8-10-15)16(13-19(28)29)24-20(30)26-25-18(27)6-2-4-12-23-17-5-1-3-11-22-17/h1,3,5,7-11,16H,2,4,6,12-13H2,(H,22,23)(H,25,27)(H,28,29)(H2,24,26,30)