3-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 3-[[(4S)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-2-hydroxy-benzoic acid CAS Name: 3-[[(4S)-4-amino-5-hydroxy-1,5-dioxopentyl]amino]-2-hydroxybenzoic acid IUPAC Name: 3-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-2-hydroxybenzoic acid Traditional Name: 3-[[(4S)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]-2-hydroxy-benzoic acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)NC(=O)CCC(C(=O)O)N)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)NC(=O)CC[C@@H](C(=O)O)N)O)C(=O)O

InChI

InChI=1S/C12H14N2O6/c13-7(12(19)20)4-5-9(15)14-8-3-1-2-6(10(8)16)11(17)18/h1-3,7,16H,4-5,13H2,(H,14,15)(H,17,18)(H,19,20)/t7-/m0/s1