5-(5-azanyl-2-cyano-pyridin-3-yl)-4-(2,2-dimethylhexanoylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(5-azanyl-2-cyano-pyridin-3-yl)-4-(2,2-dimethylhexanoylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(5-amino-2-cyano-3-pyridyl)-4-(2,2-dimethylhexanoylamino)-5-oxo-pentanoic acid CAS Name: 5-(5-amino-2-cyano-3-pyridinyl)-4-[(2,2-dimethyl-1-oxohexyl)amino]-5-oxopentanoic acid IUPAC Name: 5-(5-amino-2-cyanopyridin-3-yl)-4-(2,2-dimethylhexanoylamino)-5-oxopentanoic acid Traditional Name: 5-(5-amino-2-cyano-3-pyridyl)-4-(2,2-dimethylhexanoylamino)-5-keto-valeric acid Formula: C19H26N4O4 MolecularWeight: 374.43414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(=O)NC(CCC(=O)O)C(=O)C1=CC(=CN=C1C#N)N

Isomeric SMILES

CCCCC(C)(C)C(=O)NC(CCC(=O)O)C(=O)C1=CC(=CN=C1C#N)N

InChI

InChI=1S/C19H26N4O4/c1-4-5-8-19(2,3)18(27)23-14(6-7-16(24)25)17(26)13-9-12(21)11-22-15(13)10-20/h9,11,14H,4-8,21H2,1-3H3,(H,23,27)(H,24,25)