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

Systemtic Name: 3-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]benzoic acid Openeye Name: 3-[[(4S)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]benzoic acid CAS Name: 3-[[(4S)-4-amino-5-hydroxy-1,5-dioxopentyl]amino]benzoic acid IUPAC Name: 3-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]benzoic acid Traditional Name: 3-[[(4S)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]benzoic acid Formula: C12H14N2O5 MolecularWeight: 266.24996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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