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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OC1=CC=CC=C1

InChI

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