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

Systemtic Name: (3S,4S)-3-azaniumyl-4-(3-cyanophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentanoate Openeye Name: (3S,4S)-3-azaniumyl-5-tert-butoxy-4-(3-cyanophenyl)-5-oxo-pentanoate CAS Name: (3S,4S)-3-ammonio-4-(3-cyanophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate IUPAC Name: (3S,4S)-3-azaniumyl-4-(3-cyanophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate Traditional Name: (3S,4S)-3-ammonio-5-tert-butoxy-4-(3-cyanophenyl)-5-keto-valerate Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)14(12(18)8-13(19)20)11-6-4-5-10(7-11)9-17/h4-7,12,14H,8,18H2,1-3H3,(H,19,20)/t12-,14-/m0/s1