(2S)-2-azanyl-N-(3-bromanyl-4-methyl-phenyl)-4-methyl-pentanamide

Systemtic Name: (2S)-2-azanyl-N-(3-bromanyl-4-methyl-phenyl)-4-methyl-pentanamide Openeye Name: (2S)-2-amino-N-(3-bromo-4-methyl-phenyl)-4-methyl-pentanamide CAS Name: (2S)-2-amino-N-(3-bromo-4-methylphenyl)-4-methylpentanamide IUPAC Name: (2S)-2-amino-N-(3-bromo-4-methylphenyl)-4-methylpentanamide Traditional Name: (2S)-2-amino-N-(3-bromo-4-methyl-phenyl)-4-methyl-valeramide Formula: C13H19BrN2O MolecularWeight: 299.20676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CC(C)C)N)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](CC(C)C)N)Br

InChI

InChI=1S/C13H19BrN2O/c1-8(2)6-12(15)13(17)16-10-5-4-9(3)11(14)7-10/h4-5,7-8,12H,6,15H2,1-3H3,(H,16,17)/t12-/m0/s1