5-fluoranyl-3-[(3-methyl-2-pyrido[3,4-b]indol-9-ylcarbonyloxy-butanoyl)amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-fluoranyl-3-[(3-methyl-2-pyrido[3,4-b]indol-9-ylcarbonyloxy-butanoyl)amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[3-methyl-2-(pyrido[3,4-b]indole-9-carbonyloxy)butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[3-methyl-1-oxo-2-[oxo(9-pyrido[3,4-b]indolyl)methoxy]butyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[3-methyl-2-(pyrido[3,4-b]indole-9-carbonyloxy)butanoyl]amino]-4-oxopentanoic acid Traditional Name: 3-[[2-($b-carboline-9-carbonyloxy)-3-methyl-butanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C22H22FN3O6 MolecularWeight: 443.424983

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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=C1C=NC=C3

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)OC(=O)N1C2=CC=CC=C2C3=C1C=NC=C3

InChI

InChI=1S/C22H22FN3O6/c1-12(2)20(21(30)25-15(9-19(28)29)18(27)10-23)32-22(31)26-16-6-4-3-5-13(16)14-7-8-24-11-17(14)26/h3-8,11-12,15,20H,9-10H2,1-2H3,(H,25,30)(H,28,29)