4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-3-(pyridin-3-ylcarbamoylamino)butanoic acid

Systemtic Name: 4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-3-(pyridin-3-ylcarbamoylamino)butanoic acid Openeye Name: 4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-4-oxo-3-(3-pyridylcarbamoylamino)butanoic acid CAS Name: 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxo-3-[[oxo-(3-pyridinylamino)methyl]amino]butanoic acid IUPAC Name: 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxo-3-(pyridin-3-ylcarbamoylamino)butanoic acid Traditional Name: 4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-4-keto-3-(3-pyridylcarbamoylamino)butyric acid Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)NC2=CN=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)NC2=CN=CC=C2

InChI

InChI=1S/C20H22N4O6/c1-30-19(28)16(10-13-6-3-2-4-7-13)23-18(27)15(11-17(25)26)24-20(29)22-14-8-5-9-21-12-14/h2-9,12,15-16H,10-11H2,1H3,(H,23,27)(H,25,26)(H2,22,24,29)