(4R)-4-[[7-(cyclopropylmethylamino)-6-fluoranyl-4-oxidanylidene-1-propan-2-yl-quinolin-3-yl]carbonylamino]pentanoic acid

Systemtic Name: (4R)-4-[[7-(cyclopropylmethylamino)-6-fluoranyl-4-oxidanylidene-1-propan-2-yl-quinolin-3-yl]carbonylamino]pentanoic acid Openeye Name: (4R)-4-[[7-(cyclopropylmethylamino)-6-fluoro-1-isopropyl-4-oxo-quinoline-3-carbonyl]amino]pentanoic acid CAS Name: (4R)-4-[[[7-(cyclopropylmethylamino)-6-fluoro-4-oxo-1-propan-2-yl-3-quinolinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: (4R)-4-[[7-(cyclopropylmethylamino)-6-fluoro-4-oxo-1-propan-2-ylquinoline-3-carbonyl]amino]pentanoic acid Traditional Name: (4R)-4-[[7-(cyclopropylmethylamino)-6-fluoro-1-isopropyl-4-keto-quinoline-3-carbonyl]amino]valeric acid Formula: C22H28FN3O4 MolecularWeight: 417.473823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C2=CC(=C(C=C21)NCC3CC3)F)C(=O)NC(C)CCC(=O)O

Isomeric SMILES

C[C@H](CCC(=O)O)NC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)NCC3CC3)C(C)C

InChI

InChI=1S/C22H28FN3O4/c1-12(2)26-11-16(22(30)25-13(3)4-7-20(27)28)21(29)15-8-17(23)18(9-19(15)26)24-10-14-5-6-14/h8-9,11-14,24H,4-7,10H2,1-3H3,(H,25,30)(H,27,28)/t13-/m1/s1