3-[[(2S)-2-methylpentanoyl]amino]benzoate

Systemtic Name: 3-[[(2S)-2-methylpentanoyl]amino]benzoate Openeye Name: 3-[[(2S)-2-methylpentanoyl]amino]benzoate CAS Name: 3-[[(2S)-2-methyl-1-oxopentyl]amino]benzoate IUPAC Name: 3-[[(2S)-2-methylpentanoyl]amino]benzoate Traditional Name: 3-[[(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(=C1)C(=O)[O-]

Isomeric SMILES

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

InChI

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