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

Systemtic Name: 5-fluoranyl-3-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[(2S)-3-methyl-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]butyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]-4-oxopentanoic acid Traditional Name: 5-fluoro-3-[[(2S)-2-(hydrocinnamoylamino)-3-methyl-butanoyl]amino]-4-keto-valeric acid Formula: C19H25FN2O5 MolecularWeight: 380.410603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C19H25FN2O5/c1-12(2)18(19(27)21-14(10-17(25)26)15(23)11-20)22-16(24)9-8-13-6-4-3-5-7-13/h3-7,12,14,18H,8-11H2,1-2H3,(H,21,27)(H,22,24)(H,25,26)/t14?,18-/m0/s1