1,3-bis(bromanyl)propan-2-one; 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 1,3-bis(bromanyl)propan-2-one; 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-4-methyl-pentanoic acid; 1,3-dibromopropan-2-one CAS Name: 1,3-dibromo-2-propanone; 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 1,3-dibromopropan-2-one; 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-4-methyl-valeric acid; 1,3-dibromoacetone Formula: C17H23Br2NO5 MolecularWeight: 481.17622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1.C(C(=O)CBr)Br

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1.C(C(=O)CBr)Br

InChI

InChI=1S/C14H19NO4.C3H4Br2O/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11;4-1-3(6)2-5/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17);1-2H2