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

Systemtic Name: 3-[[2-(2-chloranylphenothiazin-10-yl)carbonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[2-(2-chlorophenothiazine-10-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[[2-[(2-chloro-10-phenothiazinyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[2-(2-chlorophenothiazine-10-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[2-(2-chlorophenothiazine-10-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-fluoro-4-keto-valeric acid Formula: C28H23ClFN3O5S MolecularWeight: 568.015723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C28H23ClFN3O5S/c29-18-9-10-25-21(12-18)33(20-7-3-4-8-24(20)39-25)28(38)32-15-17-6-2-1-5-16(17)11-22(32)27(37)31-19(13-26(35)36)23(34)14-30/h1-10,12,19,22H,11,13-15H2,(H,31,37)(H,35,36)