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

Systemtic Name: 5-(5-azanyl-2-cyano-pyridin-3-yl)-4-(2-methylhexanoylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(5-amino-2-cyano-3-pyridyl)-4-(2-methylhexanoylamino)-5-oxo-pentanoic acid CAS Name: 5-(5-amino-2-cyano-3-pyridinyl)-4-[(2-methyl-1-oxohexyl)amino]-5-oxopentanoic acid IUPAC Name: 5-(5-amino-2-cyanopyridin-3-yl)-4-(2-methylhexanoylamino)-5-oxopentanoic acid Traditional Name: 5-(5-amino-2-cyano-3-pyridyl)-5-keto-4-(2-methylhexanoylamino)valeric acid Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-3-4-5-11(2)18(26)22-14(6-7-16(23)24)17(25)13-8-12(20)10-21-15(13)9-19/h8,10-11,14H,3-7,20H2,1-2H3,(H,22,26)(H,23,24)