2-[[3-(2-cyanophenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-(2-cyanophenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[(2-cyanophenyl)methyl]-2-hydroxy-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-(2-cyanophenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-(2-cyanophenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-(2-cyanobenzyl)-2-hydroxy-2-keto-ethyl]amino]-4-methyl-valeric acid Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(CC1=CC=CC=C1C#N)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=CC=CC=C1C#N)C(=O)O

InChI

InChI=1S/C16H20N2O4/c1-10(2)7-13(15(19)20)18-14(16(21)22)8-11-5-3-4-6-12(11)9-17/h3-6,10,13-14,18H,7-8H2,1-2H3,(H,19,20)(H,21,22)