5-[[2-(2-carboxyethyl)phenyl]carbonylamino]-6-oxidanylidene-6-(4-oxidanylidenebutanoylamino)hexanoic acid

Systemtic Name: 5-[[2-(2-carboxyethyl)phenyl]carbonylamino]-6-oxidanylidene-6-(4-oxidanylidenebutanoylamino)hexanoic acid Openeye Name: 5-[[2-(2-carboxyethyl)benzoyl]amino]-6-oxo-6-(4-oxobutanoylamino)hexanoic acid CAS Name: 5-[[[2-(2-carboxyethyl)phenyl]-oxomethyl]amino]-6-(1,4-dioxobutylamino)-6-oxohexanoic acid IUPAC Name: 5-[[2-(2-carboxyethyl)benzoyl]amino]-6-oxo-6-(4-oxobutanoylamino)hexanoic acid Traditional Name: 5-[[2-(2-carboxyethyl)benzoyl]amino]-6-keto-6-(4-ketobutanoylamino)hexanoic acid Formula: C20H24N2O8 MolecularWeight: 420.41316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O8/c23-12-4-8-16(24)22-20(30)15(7-3-9-17(25)26)21-19(29)14-6-2-1-5-13(14)10-11-18(27)28/h1-2,5-6,12,15H,3-4,7-11H2,(H,21,29)(H,25,26)(H,27,28)(H,22,24,30)