1,3-bis(bromanyl)propan-2-one; 3-methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]butanoic acid

Systemtic Name: 1,3-bis(bromanyl)propan-2-one; 3-methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]butanoic acid Openeye Name: 2-[(1-benzyloxycarbonylpyrrolidine-2-carbonyl)amino]-3-methyl-butanoic acid; 1,3-dibromopropan-2-one CAS Name: 1,3-dibromo-2-propanone; 3-methyl-2-[[oxo-(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl]amino]butanoic acid IUPAC Name: 1,3-dibromopropan-2-one; 3-methyl-2-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]butanoic acid Traditional Name: 2-[(1-carbobenzoxyprolyl)amino]-3-methyl-butyric acid; 1,3-dibromoacetone Formula: C21H28Br2N2O6 MolecularWeight: 564.26482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2.C(C(=O)CBr)Br

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2.C(C(=O)CBr)Br

InChI

InChI=1S/C18H24N2O5.C3H4Br2O/c1-12(2)15(17(22)23)19-16(21)14-9-6-10-20(14)18(24)25-11-13-7-4-3-5-8-13;4-1-3(6)2-5/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3,(H,19,21)(H,22,23);1-2H2