(4S)-4-[[7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-1-propan-2-yl-quinolin-3-yl]carbonylamino]-4-phenyl-butanoic acid

Systemtic Name: (4S)-4-[[7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-1-propan-2-yl-quinolin-3-yl]carbonylamino]-4-phenyl-butanoic acid Openeye Name: (4S)-4-[[7-(cyclohexylamino)-6-fluoro-1-isopropyl-4-oxo-quinoline-3-carbonyl]amino]-4-phenyl-butanoic acid CAS Name: (4S)-4-[[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-propan-2-yl-3-quinolinyl]-oxomethyl]amino]-4-phenylbutanoic acid IUPAC Name: (4S)-4-[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-propan-2-ylquinoline-3-carbonyl]amino]-4-phenylbutanoic acid Traditional Name: (4S)-4-[[7-(cyclohexylamino)-6-fluoro-1-isopropyl-4-keto-quinoline-3-carbonyl]amino]-4-phenyl-butyric acid Formula: C29H34FN3O4 MolecularWeight: 507.596363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C2=CC(=C(C=C21)NC3CCCCC3)F)C(=O)NC(CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=C(C(=O)C2=CC(=C(C=C21)NC3CCCCC3)F)C(=O)N[C@@H](CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C29H34FN3O4/c1-18(2)33-17-22(29(37)32-24(13-14-27(34)35)19-9-5-3-6-10-19)28(36)21-15-23(30)25(16-26(21)33)31-20-11-7-4-8-12-20/h3,5-6,9-10,15-18,20,24,31H,4,7-8,11-14H2,1-2H3,(H,32,37)(H,34,35)/t24-/m0/s1