1,3-bis(chloranyl)propan-2-one; 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Systemtic Name: 1,3-bis(chloranyl)propan-2-one; 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-4-methyl-pentanoic acid; 1,3-dichloropropan-2-one CAS Name: 1,3-dichloro-2-propanone; 4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: 1,3-dichloropropan-2-one; 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-4-methyl-valeric acid; 1,3-dichloroacetone Formula: C14H25Cl2NO5 MolecularWeight: 358.258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C.C(C(=O)CCl)Cl

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C.C(C(=O)CCl)Cl

InChI

InChI=1S/C11H21NO4.C3H4Cl2O/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5;4-1-3(6)2-5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1-2H2