5-methyl-2-[[(2S)-2-methylbutanoyl]amino]benzoate

Systemtic Name: 5-methyl-2-[[(2S)-2-methylbutanoyl]amino]benzoate Openeye Name: 5-methyl-2-[[(2S)-2-methylbutanoyl]amino]benzoate CAS Name: 5-methyl-2-[[(2S)-2-methyl-1-oxobutyl]amino]benzoate IUPAC Name: 5-methyl-2-[[(2S)-2-methylbutanoyl]amino]benzoate Traditional Name: 5-methyl-2-[[(2S)-2-methylbutanoyl]amino]benzoate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=C(C=C(C=C1)C)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)C(=O)NC1=C(C=C(C=C1)C)C(=O)[O-]

InChI

InChI=1S/C13H17NO3/c1-4-9(3)12(15)14-11-6-5-8(2)7-10(11)13(16)17/h5-7,9H,4H2,1-3H3,(H,14,15)(H,16,17)/p-1/t9-/m0/s1