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

Systemtic Name: 3-fluoranyl-5-[[(2S)-3-methyl-2-(phenylcarbamoyloxy)butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-fluoro-5-[[(2S)-3-methyl-2-(phenylcarbamoyloxy)butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-[[(2S)-2-[anilino(oxo)methoxy]-3-methyl-1-oxobutyl]amino]-3-fluoro-4-oxopentanoic acid IUPAC Name: 3-fluoro-5-[[(2S)-3-methyl-2-(phenylcarbamoyloxy)butanoyl]amino]-4-oxopentanoic acid Traditional Name: 3-fluoro-4-keto-5-[[(2S)-3-methyl-2-(phenylcarbamoyloxy)butanoyl]amino]valeric acid Formula: C17H21FN2O6 MolecularWeight: 368.356843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)C(CC(=O)O)F)OC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(=O)C(CC(=O)O)F)OC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C17H21FN2O6/c1-10(2)15(26-17(25)20-11-6-4-3-5-7-11)16(24)19-9-13(21)12(18)8-14(22)23/h3-7,10,12,15H,8-9H2,1-2H3,(H,19,24)(H,20,25)(H,22,23)/t12?,15-/m0/s1