3-[[(4S)-4-carboxylatooctanoyl]amino]benzoate

Systemtic Name: 3-[[(4S)-4-carboxylatooctanoyl]amino]benzoate Openeye Name: 3-[[(4S)-4-carboxylatooctanoyl]amino]benzoate CAS Name: 3-[[(4S)-4-carboxylato-1-oxooctyl]amino]benzoate IUPAC Name: 3-[[(4S)-4-carboxylatooctanoyl]amino]benzoate Traditional Name: 3-[[(4S)-4-carboxylatooctanoyl]amino]benzoate Formula: C16H19NO5-2 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-2-3-5-11(15(19)20)8-9-14(18)17-13-7-4-6-12(10-13)16(21)22/h4,6-7,10-11H,2-3,5,8-9H2,1H3,(H,17,18)(H,19,20)(H,21,22)/p-2/t11-/m0/s1