[(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCOC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C)C

Isomeric SMILES

CC(=CCC/C(=C/COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)/C)C

InChI

InChI=1S/C27H33NO4/c1-21(2)11-10-12-22(3)17-18-31-26(29)25(19-23-13-6-4-7-14-23)28-27(30)32-20-24-15-8-5-9-16-24/h4-9,11,13-17,25H,10,12,18-20H2,1-3H3,(H,28,30)/b22-17+/t25-/m0/s1