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

Systemtic Name: 5-(5-azanyl-2-cyano-pyridin-3-yl)-5-oxidanylidene-4-(2-phenoxypropanoylamino)pentanoic acid Openeye Name: 5-(5-amino-2-cyano-3-pyridyl)-5-oxo-4-(2-phenoxypropanoylamino)pentanoic acid CAS Name: 5-(5-amino-2-cyano-3-pyridinyl)-5-oxo-4-[(1-oxo-2-phenoxypropyl)amino]pentanoic acid IUPAC Name: 5-(5-amino-2-cyanopyridin-3-yl)-5-oxo-4-(2-phenoxypropanoylamino)pentanoic acid Traditional Name: 5-(5-amino-2-cyano-3-pyridyl)-5-keto-4-(2-phenoxypropanoylamino)valeric acid Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)O)C(=O)C1=CC(=CN=C1C#N)N)OC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC(CCC(=O)O)C(=O)C1=CC(=CN=C1C#N)N)OC2=CC=CC=C2

InChI

InChI=1S/C20H20N4O5/c1-12(29-14-5-3-2-4-6-14)20(28)24-16(7-8-18(25)26)19(27)15-9-13(22)11-23-17(15)10-21/h2-6,9,11-12,16H,7-8,22H2,1H3,(H,24,28)(H,25,26)