2-(3-fluorophenyl)-3-[4-(1,8-naphthyridin-2-ylamino)butanoylamino]propanoic acid

Systemtic Name: 2-(3-fluorophenyl)-3-[4-(1,8-naphthyridin-2-ylamino)butanoylamino]propanoic acid Openeye Name: 2-(3-fluorophenyl)-3-[4-(1,8-naphthyridin-2-ylamino)butanoylamino]propanoic acid CAS Name: 2-(3-fluorophenyl)-3-[[4-(1,8-naphthyridin-2-ylamino)-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-(3-fluorophenyl)-3-[4-(1,8-naphthyridin-2-ylamino)butanoylamino]propanoic acid Traditional Name: 2-(3-fluorophenyl)-3-[4-(1,8-naphthyridin-2-ylamino)butanoylamino]propionic acid Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C(CNC(=O)CCCNC2=NC3=C(C=CC=N3)C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)C(CNC(=O)CCCNC2=NC3=C(C=CC=N3)C=C2)C(=O)O

InChI

InChI=1S/C21H21FN4O3/c22-16-6-1-4-15(12-16)17(21(28)29)13-25-19(27)7-3-10-23-18-9-8-14-5-2-11-24-20(14)26-18/h1-2,4-6,8-9,11-12,17H,3,7,10,13H2,(H,25,27)(H,28,29)(H,23,24,26)