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

Systemtic Name: 5-[[2-(3-azanyl-3-oxidanylidene-propyl)phenyl]carbonylamino]-6-oxidanylidene-6-(4-oxidanylidenebutanoylamino)hexanoic acid Openeye Name: 5-[[2-(3-amino-3-oxo-propyl)benzoyl]amino]-6-oxo-6-(4-oxobutanoylamino)hexanoic acid CAS Name: 5-[[[2-(3-amino-3-oxopropyl)phenyl]-oxomethyl]amino]-6-(1,4-dioxobutylamino)-6-oxohexanoic acid IUPAC Name: 5-[[2-(3-amino-3-oxopropyl)benzoyl]amino]-6-oxo-6-(4-oxobutanoylamino)hexanoic acid Traditional Name: 5-[[2-(3-amino-3-keto-propyl)benzoyl]amino]-6-keto-6-(4-ketobutanoylamino)hexanoic acid Formula: C20H25N3O7 MolecularWeight: 419.4284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O7/c21-16(25)11-10-13-5-1-2-6-14(13)19(29)22-15(7-3-9-18(27)28)20(30)23-17(26)8-4-12-24/h1-2,5-6,12,15H,3-4,7-11H2,(H2,21,25)(H,22,29)(H,27,28)(H,23,26,30)