2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxy-3-pyrrolidin-2-ylcarbonyl-phenyl)propanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxy-3-pyrrolidin-2-ylcarbonyl-phenyl)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[4-benzyloxy-3-(pyrrolidine-2-carbonyl)phenyl]propanoic acid CAS Name: 3-[3-[oxo(2-pyrrolidinyl)methyl]-4-phenylmethoxyphenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-3-[4-phenylmethoxy-3-(pyrrolidine-2-carbonyl)phenyl]propanoic acid Traditional Name: 3-(4-benzoxy-3-prolyl-phenyl)-2-(benzyloxycarbonylamino)propionic acid Formula: C29H30N2O6 MolecularWeight: 502.5583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C2=C(C=CC(=C2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(NC1)C(=O)C2=C(C=CC(=C2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H30N2O6/c32-27(24-12-7-15-30-24)23-16-22(13-14-26(23)36-18-20-8-3-1-4-9-20)17-25(28(33)34)31-29(35)37-19-21-10-5-2-6-11-21/h1-6,8-11,13-14,16,24-25,30H,7,12,15,17-19H2,(H,31,35)(H,33,34)