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

Systemtic Name: (3S,4S)-3-azaniumyl-4-(4-bromophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentanoate Openeye Name: (3S,4S)-3-azaniumyl-4-(4-bromophenyl)-5-tert-butoxy-5-oxo-pentanoate CAS Name: (3S,4S)-3-ammonio-4-(4-bromophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate IUPAC Name: (3S,4S)-3-azaniumyl-4-(4-bromophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate Traditional Name: (3S,4S)-3-ammonio-4-(4-bromophenyl)-5-tert-butoxy-5-keto-valerate Formula: C15H20BrNO4 MolecularWeight: 358.2276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO4/c1-15(2,3)21-14(20)13(11(17)8-12(18)19)9-4-6-10(16)7-5-9/h4-7,11,13H,8,17H2,1-3H3,(H,18,19)/t11-,13-/m0/s1