4-[[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]methyl]benzoate

Systemtic Name: 4-[[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]methyl]benzoate Openeye Name: 4-[[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]methyl]benzoate CAS Name: 4-[[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]methyl]benzoate IUPAC Name: 4-[[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]methyl]benzoate Traditional Name: 4-[[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]methyl]benzoate Formula: C14H18NO5- MolecularWeight: 280.29642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=O)NCC1=CC=C(C=C1)C(=O)[O-])O

Isomeric SMILES

CC(C)(CO)[C@H](C(=O)NCC1=CC=C(C=C1)C(=O)[O-])O

InChI

InChI=1S/C14H19NO5/c1-14(2,8-16)11(17)12(18)15-7-9-3-5-10(6-4-9)13(19)20/h3-6,11,16-17H,7-8H2,1-2H3,(H,15,18)(H,19,20)/p-1/t11-/m0/s1