5-fluoranyl-3-[[2-[(7-methoxy-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-fluoranyl-3-[[2-[(7-methoxy-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[2-[(7-methoxy-2-oxo-chromene-3-carbonyl)amino]-3-methyl-butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[2-[[(7-methoxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[2-[(7-methoxy-2-oxochromene-3-carbonyl)amino]-3-methylbutanoyl]amino]-4-oxopentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[2-[(2-keto-7-methoxy-chromene-3-carbonyl)amino]-3-methyl-butanoyl]amino]valeric acid Formula: C21H23FN2O8 MolecularWeight: 450.414323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)C1=CC2=C(C=C(C=C2)OC)OC1=O

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)C1=CC2=C(C=C(C=C2)OC)OC1=O

InChI

InChI=1S/C21H23FN2O8/c1-10(2)18(20(29)23-14(8-17(26)27)15(25)9-22)24-19(28)13-6-11-4-5-12(31-3)7-16(11)32-21(13)30/h4-7,10,14,18H,8-9H2,1-3H3,(H,23,29)(H,24,28)(H,26,27)