1,3-bis(chloranyl)propan-2-one; (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 1,3-bis(chloranyl)propan-2-one; (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoic acid; 1,3-dichloropropan-2-one CAS Name: 1,3-dichloro-2-propanone; (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 1,3-dichloropropan-2-one; (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid; 1,3-dichloroacetone Formula: C20H21Cl2NO5 MolecularWeight: 426.29044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2.C(C(=O)CCl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2.C(C(=O)CCl)Cl

InChI

InChI=1S/C17H17NO4.C3H4Cl2O/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14;4-1-3(6)2-5/h1-10,15H,11-12H2,(H,18,21)(H,19,20);1-2H2/t15-;/m0./s1