3-methyl-2-[2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]propanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]propanoylamino]butanoic acid Openeye Name: 3-methyl-2-[2-[[2-(2-oxo-4-phenyl-chromen-7-yl)oxyacetyl]amino]propanoylamino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[[1-oxo-2-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]ethyl]amino]propyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoylamino]butanoic acid Traditional Name: 2-[2-[[2-(2-keto-4-phenyl-chromen-7-yl)oxyacetyl]amino]propanoylamino]-3-methyl-butyric acid Formula: C25H26N2O7 MolecularWeight: 466.48314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O7/c1-14(2)23(25(31)32)27-24(30)15(3)26-21(28)13-33-17-9-10-18-19(16-7-5-4-6-8-16)12-22(29)34-20(18)11-17/h4-12,14-15,23H,13H2,1-3H3,(H,26,28)(H,27,30)(H,31,32)