2-[2-[6-cyclopropyl-2-oxidanylidene-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)pyridin-1-yl]ethanoylamino]-3-(3-fluorophenyl)propanoic acid

Systemtic Name: 2-[2-[6-cyclopropyl-2-oxidanylidene-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)pyridin-1-yl]ethanoylamino]-3-(3-fluorophenyl)propanoic acid Openeye Name: 2-[[2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridyl]acetyl]amino]-3-(3-fluorophenyl)propanoic acid CAS Name: 2-[[2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]-1-oxoethyl]amino]-3-(3-fluorophenyl)propanoic acid IUPAC Name: 2-[[2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)pyridin-1-yl]acetyl]amino]-3-(3-fluorophenyl)propanoic acid Traditional Name: 2-[[2-[6-cyclopropyl-2-keto-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridyl]acetyl]amino]-3-(3-fluorophenyl)propionic acid Formula: C28H30FN5O4 MolecularWeight: 519.567303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(NC1)N=C(C=C2)CNC3=CC=C(N(C3=O)CC(=O)NC(CC4=CC(=CC=C4)F)C(=O)O)C5CC5

Isomeric SMILES

C1CC2=C(NC1)N=C(C=C2)CNC3=CC=C(N(C3=O)CC(=O)NC(CC4=CC(=CC=C4)F)C(=O)O)C5CC5

InChI

InChI=1S/C28H30FN5O4/c29-20-5-1-3-17(13-20)14-23(28(37)38)33-25(35)16-34-24(18-6-7-18)11-10-22(27(34)36)31-15-21-9-8-19-4-2-12-30-26(19)32-21/h1,3,5,8-11,13,18,23,31H,2,4,6-7,12,14-16H2,(H,30,32)(H,33,35)(H,37,38)