cadmium(2+); (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: cadmium(2+); (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate; cadmium(2+) CAS Name: cadmium(2+); (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate IUPAC Name: cadmium(2+); (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionate; cadmium(2+) Formula: C34H32CdN2O8 MolecularWeight: 709.03748

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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.C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)OCC2=CC=CC=C2.[Cd+2]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)OCC2=CC=CC=C2.C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)OCC2=CC=CC=C2.[Cd+2]

InChI

InChI=1S/2C17H17NO4.Cd/c2*19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14;/h2*1-10,15H,11-12H2,(H,18,21)(H,19,20);/q;;+2/p-2/t2*15-;/m00./s1