2-[[5-oxidanyl-5-oxidanylidene-2-(4-phenylmethoxybutanoylamino)pentanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[5-oxidanyl-5-oxidanylidene-2-(4-phenylmethoxybutanoylamino)pentanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-(4-benzyloxybutanoylamino)-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid CAS Name: 2-[[5-hydroxy-1,5-dioxo-2-[(1-oxo-4-phenylmethoxybutyl)amino]pentyl]amino]pentanedioic acid IUPAC Name: 2-[[5-hydroxy-5-oxo-2-(4-phenylmethoxybutanoylamino)pentanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-(4-benzoxybutanoylamino)-5-hydroxy-5-keto-pentanoyl]amino]glutaric acid Formula: C21H28N2O9 MolecularWeight: 452.45502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O9/c24-17(7-4-12-32-13-14-5-2-1-3-6-14)22-15(8-10-18(25)26)20(29)23-16(21(30)31)9-11-19(27)28/h1-3,5-6,15-16H,4,7-13H2,(H,22,24)(H,23,29)(H,25,26)(H,27,28)(H,30,31)