2-methylpropoxycarbonyl (2S)-3-phenyl-2-[phenylmethoxycarbonyl-(phenylmethyl)amino]propanoate

Systemtic Name: 2-methylpropoxycarbonyl (2S)-3-phenyl-2-[phenylmethoxycarbonyl-(phenylmethyl)amino]propanoate Openeye Name: isobutoxycarbonyl (2S)-2-[benzyl(benzyloxycarbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-3-phenyl-2-[phenylmethoxycarbonyl-(phenylmethyl)amino]propanoic acid [2-methylpropoxy(oxo)methyl] ester IUPAC Name: 2-methylpropoxycarbonyl (2S)-2-[benzyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[benzyl(carbobenzoxy)amino]-3-phenyl-propionic acid isobutoxycarbonyl ester Formula: C29H31NO6 MolecularWeight: 489.55954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO6/c1-22(2)20-35-29(33)36-27(31)26(18-23-12-6-3-7-13-23)30(19-24-14-8-4-9-15-24)28(32)34-21-25-16-10-5-11-17-25/h3-17,22,26H,18-21H2,1-2H3/t26-/m0/s1