(2S)-2-azanyl-N-(3-ethynylphenyl)-3-methyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-(3-ethynylphenyl)-3-methyl-butanamide Openeye Name: (2S)-2-amino-N-(3-ethynylphenyl)-3-methyl-butanamide CAS Name: (2S)-2-amino-N-(3-ethynylphenyl)-3-methylbutanamide IUPAC Name: (2S)-2-amino-N-(3-ethynylphenyl)-3-methylbutanamide Traditional Name: (2S)-2-amino-N-(3-ethynylphenyl)-3-methyl-butyramide Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O/c1-4-10-6-5-7-11(8-10)15-13(16)12(14)9(2)3/h1,5-9,12H,14H2,2-3H3,(H,15,16)/t12-/m0/s1