2-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxoethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[[2-[(5-bromo-2-furoyl)amino]acetyl]amino]-3,3-dimethyl-butyric acid Formula: C13H17BrN2O5 MolecularWeight: 361.18848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)CNC(=O)C1=CC=C(O1)Br

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)CNC(=O)C1=CC=C(O1)Br

InChI

InChI=1S/C13H17BrN2O5/c1-13(2,3)10(12(19)20)16-9(17)6-15-11(18)7-4-5-8(14)21-7/h4-5,10H,6H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)