(3R,4R)-3-azaniumyl-4-(3-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentanoate

Systemtic Name: (3R,4R)-3-azaniumyl-4-(3-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentanoate Openeye Name: (3R,4R)-3-azaniumyl-5-tert-butoxy-4-(m-tolyl)-5-oxo-pentanoate CAS Name: (3R,4R)-3-ammonio-4-(3-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate IUPAC Name: (3R,4R)-3-azaniumyl-4-(3-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate Traditional Name: (3R,4R)-3-ammonio-5-tert-butoxy-5-keto-4-(m-tolyl)valerate Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C(CC(=O)[O-])[NH3+])C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)[C@H]([C@@H](CC(=O)[O-])[NH3+])C(=O)OC(C)(C)C

InChI

InChI=1S/C16H23NO4/c1-10-6-5-7-11(8-10)14(12(17)9-13(18)19)15(20)21-16(2,3)4/h5-8,12,14H,9,17H2,1-4H3,(H,18,19)/t12-,14-/m1/s1