(3S,5R)-3-azaniumyl-6-[(2-methylpropan-2-yl)oxy]-6-oxidanylidene-5-phenyl-hexanoate

Systemtic Name: (3S,5R)-3-azaniumyl-6-[(2-methylpropan-2-yl)oxy]-6-oxidanylidene-5-phenyl-hexanoate Openeye Name: (3S,5R)-3-azaniumyl-6-tert-butoxy-6-oxo-5-phenyl-hexanoate CAS Name: (3S,5R)-3-ammonio-6-[(2-methylpropan-2-yl)oxy]-6-oxo-5-phenylhexanoate IUPAC Name: (3S,5R)-3-azaniumyl-6-[(2-methylpropan-2-yl)oxy]-6-oxo-5-phenylhexanoate Traditional Name: (3S,5R)-3-ammonio-6-tert-butoxy-6-keto-5-phenyl-hexanoate Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC(CC(=O)[O-])[NH3+])C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](C[C@@H](CC(=O)[O-])[NH3+])C1=CC=CC=C1

InChI

InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)13(9-12(17)10-14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10,17H2,1-3H3,(H,18,19)/t12-,13+/m0/s1