sodium 2,2-bis(fluoranyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-5-phenyl-pentanoate

Systemtic Name: sodium 2,2-bis(fluoranyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-5-phenyl-pentanoate Openeye Name: sodium 4-(tert-butoxycarbonylamino)-2,2-difluoro-3-hydroxy-5-phenyl-pentanoate CAS Name: sodium 2,2-difluoro-3-hydroxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenylpentanoate IUPAC Name: sodium 2,2-difluoro-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoate Traditional Name: sodium 4-(tert-butoxycarbonylamino)-2,2-difluoro-3-hydroxy-5-phenyl-valerate Formula: C16H20F2NNaO5 MolecularWeight: 367.320276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(C(C(=O)[O-])(F)F)O.[Na+]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(C(C(=O)[O-])(F)F)O.[Na+]

InChI

InChI=1S/C16H21F2NO5.Na/c1-15(2,3)24-14(23)19-11(9-10-7-5-4-6-8-10)12(20)16(17,18)13(21)22;/h4-8,11-12,20H,9H2,1-3H3,(H,19,23)(H,21,22);/q;+1/p-1