4-[[(2S)-2-methylpentanoyl]amino]-2-oxidanyl-benzoate

Systemtic Name: 4-[[(2S)-2-methylpentanoyl]amino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-[[(2S)-2-methylpentanoyl]amino]benzoate CAS Name: 2-hydroxy-4-[[(2S)-2-methyl-1-oxopentyl]amino]benzoate IUPAC Name: 2-hydroxy-4-[[(2S)-2-methylpentanoyl]amino]benzoate Traditional Name: 2-hydroxy-4-[[(2S)-2-methylpentanoyl]amino]benzoate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=CC(=C(C=C1)C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-3-4-8(2)12(16)14-9-5-6-10(13(17)18)11(15)7-9/h5-8,15H,3-4H2,1-2H3,(H,14,16)(H,17,18)/p-1/t8-/m0/s1