2-[3-(3-bromophenyl)propanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[3-(3-bromophenyl)propanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[3-(3-bromophenyl)propanoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[3-(3-bromophenyl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[3-(3-bromophenyl)propanoylamino]-3-methylpentanoic acid Traditional Name: 2-[3-(3-bromophenyl)propanoylamino]-3-methyl-valeric acid Formula: C15H20BrNO3 MolecularWeight: 342.2282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCC1=CC(=CC=C1)Br

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CCC1=CC(=CC=C1)Br

InChI

InChI=1S/C15H20BrNO3/c1-3-10(2)14(15(19)20)17-13(18)8-7-11-5-4-6-12(16)9-11/h4-6,9-10,14H,3,7-8H2,1-2H3,(H,17,18)(H,19,20)