2-[azanyl-(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)carbamoyl]benzoic acid

Systemtic Name: 2-[azanyl-(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)carbamoyl]benzoic acid Openeye Name: 2-[amino-(4-amino-5-hydroxy-5-oxo-pentanoyl)carbamoyl]benzoic acid CAS Name: 2-[[amino-(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[amino-(4-amino-5-hydroxy-5-oxopentanoyl)carbamoyl]benzoic acid Traditional Name: 2-[amino-(4-amino-5-hydroxy-5-keto-pentanoyl)carbamoyl]benzoic acid Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6/c14-9(13(21)22)5-6-10(17)16(15)11(18)7-3-1-2-4-8(7)12(19)20/h1-4,9H,5-6,14-15H2,(H,19,20)(H,21,22)