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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O/c1-4-10(3)13(15)14(17)16-12-8-6-7-11(5-2)9-12/h2,6-10,13H,4,15H2,1,3H3,(H,16,17)/t10-,13-/m0/s1