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

Systemtic Name: 3-[4-(2-fluorophenyl)phenyl]-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoic acid Openeye Name: 3-[4-(2-fluorophenyl)phenyl]-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propanoic acid CAS Name: 3-[4-(2-fluorophenyl)phenyl]-3-[[1-oxo-2-[[1-oxo-5-(2-pyridinylamino)pentyl]amino]ethyl]amino]propanoic acid IUPAC Name: 3-[4-(2-fluorophenyl)phenyl]-3-[[2-[5-(pyridin-2-ylamino)pentanoylamino]acetyl]amino]propanoic acid Traditional Name: 3-[4-(2-fluorophenyl)phenyl]-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propionic acid Formula: C27H29FN4O4 MolecularWeight: 492.541963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)CCCCNC3=CC=CC=N3)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)CCCCNC3=CC=CC=N3)F

InChI

InChI=1S/C27H29FN4O4/c28-22-8-2-1-7-21(22)19-11-13-20(14-12-19)23(17-27(35)36)32-26(34)18-31-25(33)10-4-6-16-30-24-9-3-5-15-29-24/h1-3,5,7-9,11-15,23H,4,6,10,16-18H2,(H,29,30)(H,31,33)(H,32,34)(H,35,36)