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

Systemtic Name: 5-fluoranyl-3-[[(2S)-3-methyl-2-(2-phenylethanoylamino)butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[(2S)-3-methyl-1-oxo-2-[(1-oxo-2-phenylethyl)amino]butyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]-4-oxopentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]valeric acid Formula: C18H23FN2O5 MolecularWeight: 366.384023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C18H23FN2O5/c1-11(2)17(21-15(23)8-12-6-4-3-5-7-12)18(26)20-13(9-16(24)25)14(22)10-19/h3-7,11,13,17H,8-10H2,1-2H3,(H,20,26)(H,21,23)(H,24,25)/t13?,17-/m0/s1