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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1NC(=O)CCC(C(=O)O)N)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1NC(=O)CC[C@@H](C(=O)O)N)O)C(=O)O

InChI

InChI=1S/C12H14N2O6/c13-9(12(19)20)1-2-10(16)14-7-3-6(11(17)18)4-8(15)5-7/h3-5,9,15H,1-2,13H2,(H,14,16)(H,17,18)(H,19,20)/t9-/m0/s1