(2S)-2-azanyl-N-(3-ethynylphenyl)-4-methyl-pentanamide

Systemtic Name: (2S)-2-azanyl-N-(3-ethynylphenyl)-4-methyl-pentanamide Openeye Name: (2S)-2-amino-N-(3-ethynylphenyl)-4-methyl-pentanamide CAS Name: (2S)-2-amino-N-(3-ethynylphenyl)-4-methylpentanamide IUPAC Name: (2S)-2-amino-N-(3-ethynylphenyl)-4-methylpentanamide Traditional Name: (2S)-2-amino-N-(3-ethynylphenyl)-4-methyl-valeramide Formula: C14H18N2O MolecularWeight: 230.30552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC(=C1)C#C)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=CC(=C1)C#C)N

InChI

InChI=1S/C14H18N2O/c1-4-11-6-5-7-12(9-11)16-14(17)13(15)8-10(2)3/h1,5-7,9-10,13H,8,15H2,2-3H3,(H,16,17)/t13-/m0/s1