2-[(4-aminophenyl)carbonyl-[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid

Systemtic Name: 2-[(4-aminophenyl)carbonyl-[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid Openeye Name: 2-[(4-aminobenzoyl)-[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-5-hydroxy-1,5-dioxopentyl]-[(4-aminophenyl)-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[(4-aminobenzoyl)-[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-5-hydroxy-5-oxopentanoyl]amino]pentanedioic acid Traditional Name: 2-[(4-aminobenzoyl)-[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-5-hydroxy-5-keto-pentanoyl]amino]glutaric acid Formula: C22H28N4O11 MolecularWeight: 524.47792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N(C(CCC(=O)O)C(=O)O)C(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N(C(CCC(=O)O)C(=O)O)C(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)N)N

InChI

InChI=1S/C22H28N4O11/c23-12-3-1-11(2-4-12)20(34)26(15(22(36)37)7-10-18(31)32)21(35)14(6-9-17(29)30)25-19(33)13(24)5-8-16(27)28/h1-4,13-15H,5-10,23-24H2,(H,25,33)(H,27,28)(H,29,30)(H,31,32)(H,36,37)