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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCC[C@H](C)C(=O)NC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C13H17NO3/c1-3-6-9(2)12(15)14-11-8-5-4-7-10(11)13(16)17/h4-5,7-9H,3,6H2,1-2H3,(H,14,15)(H,16,17)/p-1/t9-/m0/s1