5-[(2-acetamido-4-methyl-pentanoyl)amino]-3-(fluoranylmethyl)-4-oxidanylidene-2-(phenylmethyl)hexanoic acid

Systemtic Name: 5-[(2-acetamido-4-methyl-pentanoyl)amino]-3-(fluoranylmethyl)-4-oxidanylidene-2-(phenylmethyl)hexanoic acid Openeye Name: 5-[(2-acetamido-4-methyl-pentanoyl)amino]-2-benzyl-3-(fluoromethyl)-4-oxo-hexanoic acid CAS Name: 5-[(2-acetamido-4-methyl-1-oxopentyl)amino]-3-(fluoromethyl)-4-oxo-2-(phenylmethyl)hexanoic acid IUPAC Name: 5-[(2-acetamido-4-methylpentanoyl)amino]-2-benzyl-3-(fluoromethyl)-4-oxohexanoic acid Traditional Name: 5-[(2-acetamido-4-methyl-pentanoyl)amino]-2-benzyl-3-(fluoromethyl)-4-keto-hexanoic acid Formula: C22H31FN2O5 MolecularWeight: 422.490343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)C(CF)C(CC1=CC=CC=C1)C(=O)O)NC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)NC(C)C(=O)C(CF)C(CC1=CC=CC=C1)C(=O)O)NC(=O)C

InChI

InChI=1S/C22H31FN2O5/c1-13(2)10-19(25-15(4)26)21(28)24-14(3)20(27)18(12-23)17(22(29)30)11-16-8-6-5-7-9-16/h5-9,13-14,17-19H,10-12H2,1-4H3,(H,24,28)(H,25,26)(H,29,30)