2-[(3-bromophenyl)carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(3-bromophenyl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[(3-bromobenzoyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(3-bromobenzoyl)amino]-4-methylpentanoic acid Traditional Name: 2-[(3-bromobenzoyl)amino]-4-methyl-valeric acid Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3/c1-8(2)6-11(13(17)18)15-12(16)9-4-3-5-10(14)7-9/h3-5,7-8,11H,6H2,1-2H3,(H,15,16)(H,17,18)