3-[[2-(1H-benzimidazol-2-ylcarbonylamino)-3-methyl-butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[2-(1H-benzimidazol-2-ylcarbonylamino)-3-methyl-butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[2-(1H-benzimidazole-2-carbonylamino)-3-methyl-butanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[2-[[1H-benzimidazol-2-yl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[2-(1H-benzimidazole-2-carbonylamino)-3-methylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[2-(1H-benzimidazole-2-carbonylamino)-3-methyl-butanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C18H21FN4O5 MolecularWeight: 392.381543

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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=NC2=CC=CC=C2N1

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)C1=NC2=CC=CC=C2N1

InChI

InChI=1S/C18H21FN4O5/c1-9(2)15(17(27)22-12(7-14(25)26)13(24)8-19)23-18(28)16-20-10-5-3-4-6-11(10)21-16/h3-6,9,12,15H,7-8H2,1-2H3,(H,20,21)(H,22,27)(H,23,28)(H,25,26)