3-[[(2S)-2-methylbutanoyl]amino]benzoic acid

Systemtic Name: 3-[[(2S)-2-methylbutanoyl]amino]benzoic acid Openeye Name: 3-[[(2S)-2-methylbutanoyl]amino]benzoic acid CAS Name: 3-[[(2S)-2-methyl-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[[(2S)-2-methylbutanoyl]amino]benzoic acid Traditional Name: 3-[[(2S)-2-methylbutanoyl]amino]benzoic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-3-8(2)11(14)13-10-6-4-5-9(7-10)12(15)16/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1