2-[carboxy-[2-(2-cyanophenyl)ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-(2-cyanophenyl)ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-(2-cyanophenyl)ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-(2-cyanophenyl)ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-(2-cyanophenyl)ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-(2-cyanophenyl)ethyl]amino]-4-methyl-valeric acid Formula: C16H20N2O4 MolecularWeight: 304.341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC1=CC=CC=C1C#N)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC1=CC=CC=C1C#N)C(=O)O

InChI

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