4-[[5-(2-acetamidoethylamino)pyridin-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-(2-acetamidoethylamino)pyridin-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-(2-acetamidoethylamino)-2-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[5-(2-acetamidoethylamino)-2-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-(2-acetamidoethylamino)pyridin-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-(2-acetamidoethylamino)-2-pyridyl]amino]-4-keto-butyrate Formula: C13H17N4O4- MolecularWeight: 293.29848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=CN=C(C=C1)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC(=O)NCCNC1=CN=C(C=C1)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H18N4O4/c1-9(18)14-6-7-15-10-2-3-11(16-8-10)17-12(19)4-5-13(20)21/h2-3,8,15H,4-7H2,1H3,(H,14,18)(H,20,21)(H,16,17,19)/p-1