(2S)-2-[2-(4-bromophenyl)ethanoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[2-(4-bromophenyl)ethanoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[2-(4-bromophenyl)acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-(4-bromophenyl)-1-oxoethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[2-(4-bromophenyl)acetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-(4-bromophenyl)acetyl]amino]-4-methyl-valerate Formula: C14H17BrNO3- MolecularWeight: 327.19368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)CC1=CC=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO3/c1-9(2)7-12(14(18)19)16-13(17)8-10-3-5-11(15)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)(H,18,19)/p-1/t12-/m0/s1