ditert-butyl 2-[(1S)-2-phenyl-1-(3-phenylpropanoylamino)ethyl]propanedioate

Systemtic Name: ditert-butyl 2-[(1S)-2-phenyl-1-(3-phenylpropanoylamino)ethyl]propanedioate Openeye Name: ditert-butyl 2-[(1S)-2-phenyl-1-(3-phenylpropanoylamino)ethyl]propanedioate CAS Name: 2-[(1S)-1-[(1-oxo-3-phenylpropyl)amino]-2-phenylethyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(1S)-2-phenyl-1-(3-phenylpropanoylamino)ethyl]propanedioate Traditional Name: 2-[(1S)-1-(hydrocinnamoylamino)-2-phenyl-ethyl]malonic acid ditert-butyl ester Formula: C28H37NO5 MolecularWeight: 467.59708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(CC1=CC=CC=C1)NC(=O)CCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C([C@H](CC1=CC=CC=C1)NC(=O)CCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H37NO5/c1-27(2,3)33-25(31)24(26(32)34-28(4,5)6)22(19-21-15-11-8-12-16-21)29-23(30)18-17-20-13-9-7-10-14-20/h7-16,22,24H,17-19H2,1-6H3,(H,29,30)/t22-/m0/s1