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

Systemtic Name: 5-fluoranyl-3-[[(2S)-3-methyl-2-[(phenylmethyl)carbamoyloxy]butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-2-(benzylcarbamoyloxy)-3-methyl-butanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[(2S)-3-methyl-1-oxo-2-[oxo-[(phenylmethyl)amino]methoxy]butyl]amino]-4-oxopentanoic acid IUPAC Name: 3-[[(2S)-2-(benzylcarbamoyloxy)-3-methylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[(2S)-2-(benzylcarbamoyloxy)-3-methyl-butanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C18H23FN2O6 MolecularWeight: 382.383423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)OC(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)OC(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C18H23FN2O6/c1-11(2)16(17(25)21-13(8-15(23)24)14(22)9-19)27-18(26)20-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,26)(H,21,25)(H,23,24)/t13?,16-/m0/s1