5-fluoranyl-3-[(3-methyl-2-pyridazino[4,5-b]indol-5-ylcarbonyloxy-butanoyl)amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-fluoranyl-3-[(3-methyl-2-pyridazino[4,5-b]indol-5-ylcarbonyloxy-butanoyl)amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[3-methyl-2-(pyridazino[4,5-b]indole-5-carbonyloxy)butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[3-methyl-1-oxo-2-[oxo(5-pyridazino[4,5-b]indolyl)methoxy]butyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[3-methyl-2-(pyridazino[4,5-b]indole-5-carbonyloxy)butanoyl]amino]-4-oxopentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[3-methyl-2-(pyridazin[4,5-b]indole-5-carbonyloxy)butanoyl]amino]valeric acid Formula: C21H21FN4O6 MolecularWeight: 444.413043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)OC(=O)N1C2=CC=CC=C2C3=CN=NC=C31

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)OC(=O)N1C2=CC=CC=C2C3=CN=NC=C31

InChI

InChI=1S/C21H21FN4O6/c1-11(2)19(20(30)25-14(7-18(28)29)17(27)8-22)32-21(31)26-15-6-4-3-5-12(15)13-9-23-24-10-16(13)26/h3-6,9-11,14,19H,7-8H2,1-2H3,(H,25,30)(H,28,29)