1,3-bis(chloranyl)propan-2-one; 2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid

Systemtic Name: 1,3-bis(chloranyl)propan-2-one; 2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid Openeye Name: 2-[2-(benzyloxycarbonylamino)propanoylamino]propanoic acid; 1,3-dichloropropan-2-one CAS Name: 1,3-dichloro-2-propanone; 2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid IUPAC Name: 1,3-dichloropropan-2-one; 2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid Traditional Name: 2-[2-(benzyloxycarbonylamino)propanoylamino]propionic acid; 1,3-dichloroacetone Formula: C17H22Cl2N2O6 MolecularWeight: 421.27238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)O)NC(=O)OCC1=CC=CC=C1.C(C(=O)CCl)Cl

Isomeric SMILES

CC(C(=O)NC(C)C(=O)O)NC(=O)OCC1=CC=CC=C1.C(C(=O)CCl)Cl

InChI

InChI=1S/C14H18N2O5.C3H4Cl2O/c1-9(12(17)15-10(2)13(18)19)16-14(20)21-8-11-6-4-3-5-7-11;4-1-3(6)2-5/h3-7,9-10H,8H2,1-2H3,(H,15,17)(H,16,20)(H,18,19);1-2H2