4-oxidanylidene-4-(pyridin-3-ylmethylcarbamoylamino)butanoic acid

Systemtic Name: 4-oxidanylidene-4-(pyridin-3-ylmethylcarbamoylamino)butanoic acid Openeye Name: 4-oxo-4-(3-pyridylmethylcarbamoylamino)butanoic acid CAS Name: 4-oxo-4-[[oxo-(3-pyridinylmethylamino)methyl]amino]butanoic acid IUPAC Name: 4-oxo-4-(pyridin-3-ylmethylcarbamoylamino)butanoic acid Traditional Name: 4-keto-4-(3-pyridylmethylcarbamoylamino)butyric acid Formula: C11H13N3O4 MolecularWeight: 251.23862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)NC(=O)CCC(=O)O

InChI

InChI=1S/C11H13N3O4/c15-9(3-4-10(16)17)14-11(18)13-7-8-2-1-5-12-6-8/h1-2,5-6H,3-4,7H2,(H,16,17)(H2,13,14,15,18)