2-[2-[(3-bromophenyl)carbonylamino]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[(3-bromophenyl)carbonylamino]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[(3-bromophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-3-methyl-butyric acid Formula: C14H17BrN2O4 MolecularWeight: 357.19978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2O4/c1-8(2)12(14(20)21)17-11(18)7-16-13(19)9-4-3-5-10(15)6-9/h3-6,8,12H,7H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)