zinc 2-(octadecanoylamino)-3-phenyl-propanoate

Systemtic Name: zinc 2-(octadecanoylamino)-3-phenyl-propanoate Openeye Name: zinc 2-(octadecanoylamino)-3-phenyl-propanoate CAS Name: zinc 2-(1-oxooctadecylamino)-3-phenylpropanoate IUPAC Name: zinc 2-(octadecanoylamino)-3-phenylpropanoate Traditional Name: zinc 3-phenyl-2-stearamido-propionate Formula: C54H88N2O6Zn MolecularWeight: 926.69532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)[O-].[Zn+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)[O-].[Zn+2]

InChI

InChI=1S/2C27H45NO3.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)28-25(27(30)31)23-24-20-17-16-18-21-24;/h2*16-18,20-21,25H,2-15,19,22-23H2,1H3,(H,28,29)(H,30,31);/q;;+2/p-2