tert-butyl (2S)-3-[3-[(E)-3-oxidanylprop-1-enyl]-4-phenylmethoxy-phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl (2S)-3-[3-[(E)-3-oxidanylprop-1-enyl]-4-phenylmethoxy-phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-3-[4-benzyloxy-3-[(E)-3-hydroxyprop-1-enyl]phenyl]propanoate CAS Name: (2S)-3-[3-[(E)-3-hydroxyprop-1-enyl]-4-phenylmethoxyphenyl]-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-[3-[(E)-3-hydroxyprop-1-enyl]-4-phenylmethoxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-[4-benzoxy-3-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-(benzyloxycarbonylamino)propionic acid tert-butyl ester Formula: C31H35NO6 MolecularWeight: 517.6127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C=CCO)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)/C=C/CO)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H35NO6/c1-31(2,3)38-29(34)27(32-30(35)37-22-24-13-8-5-9-14-24)20-25-16-17-28(26(19-25)15-10-18-33)36-21-23-11-6-4-7-12-23/h4-17,19,27,33H,18,20-22H2,1-3H3,(H,32,35)/b15-10+/t27-/m0/s1