4-oxidanylidene-4-[[6-(propan-2-ylamino)pyridin-3-yl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[6-(propan-2-ylamino)pyridin-3-yl]amino]butanoic acid Openeye Name: 4-[[6-(isopropylamino)-3-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[[6-(propan-2-ylamino)-3-pyridinyl]amino]butanoic acid IUPAC Name: 4-oxo-4-[[6-(propan-2-ylamino)pyridin-3-yl]amino]butanoic acid Traditional Name: 4-[[6-(isopropylamino)-3-pyridyl]amino]-4-keto-butyric acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C(C=C1)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)NC1=NC=C(C=C1)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H17N3O3/c1-8(2)14-10-4-3-9(7-13-10)15-11(16)5-6-12(17)18/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)