3-methyl-2-[2-[2-(6-oxidanylidenebenzo[c]chromen-3-yl)oxyethanoylamino]ethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-[2-(6-oxidanylidenebenzo[c]chromen-3-yl)oxyethanoylamino]ethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[[1-oxo-2-[(6-oxo-3-benzo[c][1]benzopyranyl)oxy]ethyl]amino]ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]acetyl]amino]butanoic acid Traditional Name: 2-[[2-[[2-(6-ketobenzo[c]chromen-3-yl)oxyacetyl]amino]acetyl]amino]-3-methyl-butyric acid Formula: C22H22N2O7 MolecularWeight: 426.41928

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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)C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CNC(=O)COC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C22H22N2O7/c1-12(2)20(21(27)28)24-18(25)10-23-19(26)11-30-13-7-8-15-14-5-3-4-6-16(14)22(29)31-17(15)9-13/h3-9,12,20H,10-11H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)