4-oxidanylidene-3-[2-[[2-oxidanylidene-2-[(2-phenoxyphenyl)amino]ethanoyl]amino]propanoylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-3-[2-[[2-oxidanylidene-2-[(2-phenoxyphenyl)amino]ethanoyl]amino]propanoylamino]butanoic acid Openeye Name: 4-oxo-3-[2-[[2-oxo-2-(2-phenoxyanilino)acetyl]amino]propanoylamino]butanoic acid CAS Name: 3-[[2-[[1,2-dioxo-2-(2-phenoxyanilino)ethyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-oxo-3-[2-[[2-oxo-2-(2-phenoxyanilino)acetyl]amino]propanoylamino]butanoic acid Traditional Name: 4-keto-3-[2-[[2-keto-2-(2-phenoxyanilino)acetyl]amino]propanoylamino]butyric acid Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C=O)NC(=O)C(=O)NC1=CC=CC=C1OC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C=O)NC(=O)C(=O)NC1=CC=CC=C1OC2=CC=CC=C2

InChI

InChI=1S/C21H21N3O7/c1-13(19(28)23-14(12-25)11-18(26)27)22-20(29)21(30)24-16-9-5-6-10-17(16)31-15-7-3-2-4-8-15/h2-10,12-14H,11H2,1H3,(H,22,29)(H,23,28)(H,24,30)(H,26,27)