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

Systemtic Name: 3-[4-(3-fluorophenyl)phenyl]-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoic acid Openeye Name: 3-[4-(3-fluorophenyl)phenyl]-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propanoic acid CAS Name: 3-[4-(3-fluorophenyl)phenyl]-3-[[1-oxo-2-[[1-oxo-5-(2-pyridinylamino)pentyl]amino]ethyl]amino]propanoic acid IUPAC Name: 3-[4-(3-fluorophenyl)phenyl]-3-[[2-[5-(pyridin-2-ylamino)pentanoylamino]acetyl]amino]propanoic acid Traditional Name: 3-[4-(3-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=NC(=C1)NCCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CC(=CC=C3)F

Isomeric SMILES

C1=CC=NC(=C1)NCCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CC(=CC=C3)F

InChI

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