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

Systemtic Name: 5-fluoranyl-3-[[(2S)-3-methyl-2-(phenethyloxycarbonylamino)butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[(2S)-3-methyl-2-(phenethyloxycarbonylamino)butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[(2S)-3-methyl-1-oxo-2-[[oxo(phenethyloxy)methyl]amino]butyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[(2S)-3-methyl-2-(phenethyloxycarbonylamino)butanoyl]amino]-4-oxopentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[(2S)-3-methyl-2-(phenethyloxycarbonylamino)butanoyl]amino]valeric acid Formula: C19H25FN2O6 MolecularWeight: 396.410003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C19H25FN2O6/c1-12(2)17(18(26)21-14(10-16(24)25)15(23)11-20)22-19(27)28-9-8-13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)/t14?,17-/m0/s1