5-fluoranyl-3-[[(2S)-3-methyl-2-[(4-oxidanylidene-4-phenylmethoxy-butanoyl)amino]butanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-fluoranyl-3-[[(2S)-3-methyl-2-[(4-oxidanylidene-4-phenylmethoxy-butanoyl)amino]butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-2-[(4-benzyloxy-4-oxo-butanoyl)amino]-3-methyl-butanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[(2S)-2-[(1,4-dioxo-4-phenylmethoxybutyl)amino]-3-methyl-1-oxobutyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[(2S)-3-methyl-2-[(4-oxo-4-phenylmethoxybutanoyl)amino]butanoyl]amino]-4-oxopentanoic acid Traditional Name: 3-[[(2S)-2-[(4-benzoxy-4-keto-butanoyl)amino]-3-methyl-butanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C21H27FN2O7 MolecularWeight: 438.446683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)CCC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)CCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H27FN2O7/c1-13(2)20(21(30)23-15(10-18(27)28)16(25)11-22)24-17(26)8-9-19(29)31-12-14-6-4-3-5-7-14/h3-7,13,15,20H,8-12H2,1-2H3,(H,23,30)(H,24,26)(H,27,28)/t15?,20-/m0/s1