4-[[(4S)-4-azaniumyl-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]benzoate

Systemtic Name: 4-[[(4S)-4-azaniumyl-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: 4-[[(4S)-4-azaniumyl-5-oxido-5-oxo-pentanoyl]amino]benzoate CAS Name: 4-[[(4S)-4-ammonio-5-oxido-1,5-dioxopentyl]amino]benzoate IUPAC Name: 4-[[(4S)-4-azaniumyl-5-oxido-5-oxopentanoyl]amino]benzoate Traditional Name: 4-[[(4S)-4-ammonio-5-keto-5-oxido-pentanoyl]amino]benzoate Formula: C12H13N2O5- MolecularWeight: 265.24202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H14N2O5/c13-9(12(18)19)5-6-10(15)14-8-3-1-7(2-4-8)11(16)17/h1-4,9H,5-6,13H2,(H,14,15)(H,16,17)(H,18,19)/p-1/t9-/m0/s1