5-fluoranyl-4-oxidanylidene-3-[(2-phenothiazin-10-ylcarbonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[(2-phenothiazin-10-ylcarbonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]pentanoic acid Openeye Name: 5-fluoro-4-oxo-3-[[2-(phenothiazine-10-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[oxo-[2-[oxo(10-phenothiazinyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[2-(phenothiazine-10-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[2-(phenothiazine-10-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]valeric acid Formula: C28H24FN3O5S MolecularWeight: 533.570663

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C28H24FN3O5S/c29-15-23(33)19(14-26(34)35)30-27(36)22-13-17-7-1-2-8-18(17)16-31(22)28(37)32-20-9-3-5-11-24(20)38-25-12-6-4-10-21(25)32/h1-12,19,22H,13-16H2,(H,30,36)(H,34,35)