3-methyl-2-[2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]ethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]ethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[[1-oxo-2-[(2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]butanoic acid Traditional Name: 2-[[2-[[2-(2-ketochromen-7-yl)oxyacetyl]amino]acetyl]amino]-3-methyl-butyric acid Formula: C18H20N2O7 MolecularWeight: 376.3606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O7/c1-10(2)17(18(24)25)20-14(21)8-19-15(22)9-26-12-5-3-11-4-6-16(23)27-13(11)7-12/h3-7,10,17H,8-9H2,1-2H3,(H,19,22)(H,20,21)(H,24,25)