2-[[(2S)-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[(2S)-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]benzoic acid CAS Name: 2-[[[(2S)-1-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[(2S)-1-hydroxy-4-methyl-1-oxopentan-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]benzoic acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C14H17NO5/c1-8(2)7-11(14(19)20)15-12(16)9-5-3-4-6-10(9)13(17)18/h3-6,8,11H,7H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)/t11-/m0/s1