5-[[2-(3-methoxy-3-oxidanylidene-propyl)phenyl]carbonylamino]-6-oxidanylidene-6-(4-oxidanylidenebutanoylamino)hexanoic acid

Systemtic Name: 5-[[2-(3-methoxy-3-oxidanylidene-propyl)phenyl]carbonylamino]-6-oxidanylidene-6-(4-oxidanylidenebutanoylamino)hexanoic acid Openeye Name: 5-[[2-(3-methoxy-3-oxo-propyl)benzoyl]amino]-6-oxo-6-(4-oxobutanoylamino)hexanoic acid CAS Name: 6-(1,4-dioxobutylamino)-5-[[[2-(3-methoxy-3-oxopropyl)phenyl]-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 5-[[2-(3-methoxy-3-oxopropyl)benzoyl]amino]-6-oxo-6-(4-oxobutanoylamino)hexanoic acid Traditional Name: 6-keto-6-(4-ketobutanoylamino)-5-[[2-(3-keto-3-methoxy-propyl)benzoyl]amino]hexanoic acid Formula: C21H26N2O8 MolecularWeight: 434.43974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=CC=C1C(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCC=O

Isomeric SMILES

COC(=O)CCC1=CC=CC=C1C(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCC=O

InChI

InChI=1S/C21H26N2O8/c1-31-19(28)12-11-14-6-2-3-7-15(14)20(29)22-16(8-4-10-18(26)27)21(30)23-17(25)9-5-13-24/h2-3,6-7,13,16H,4-5,8-12H2,1H3,(H,22,29)(H,26,27)(H,23,25,30)