3,6-bis(azanyl)-2-(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)benzoic acid

Systemtic Name: 3,6-bis(azanyl)-2-(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)benzoic acid Openeye Name: 3,6-diamino-2-(2-amino-5-hydroxy-5-oxo-pentanoyl)benzoic acid CAS Name: 3,6-diamino-2-(2-amino-5-hydroxy-1,5-dioxopentyl)benzoic acid IUPAC Name: 3,6-diamino-2-(2-amino-5-hydroxy-5-oxopentanoyl)benzoic acid Traditional Name: 3,6-diamino-2-(2-amino-5-hydroxy-5-keto-pentanoyl)benzoic acid Formula: C12H15N3O5 MolecularWeight: 281.2646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1N)C(=O)C(CCC(=O)O)N)C(=O)O)N

Isomeric SMILES

C1=CC(=C(C(=C1N)C(=O)C(CCC(=O)O)N)C(=O)O)N

InChI

InChI=1S/C12H15N3O5/c13-5-1-2-6(14)10(12(19)20)9(5)11(18)7(15)3-4-8(16)17/h1-2,7H,3-4,13-15H2,(H,16,17)(H,19,20)