(3,5-dimethylphenyl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (3,5-dimethylphenyl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (3,5-dimethylphenyl)methyl (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid (3,5-dimethylbenzyl) ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C26H27NO4/c1-19-13-20(2)15-23(14-19)18-30-25(28)24(16-21-9-5-3-6-10-21)27-26(29)31-17-22-11-7-4-8-12-22/h3-15,24H,16-18H2,1-2H3,(H,27,29)/t24-/m0/s1