2-(phenylmethoxycarbonylamino)-2-[4-[3-(pyridin-2-ylmethylcarbamoylamino)phenyl]phenyl]propanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-2-[4-[3-(pyridin-2-ylmethylcarbamoylamino)phenyl]phenyl]propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-2-[4-[3-(2-pyridylmethylcarbamoylamino)phenyl]phenyl]propanoic acid CAS Name: 2-[4-[3-[[oxo-(2-pyridinylmethylamino)methyl]amino]phenyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-2-[4-[3-(pyridin-2-ylmethylcarbamoylamino)phenyl]phenyl]propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-2-[4-[3-(2-pyridylmethylcarbamoylamino)phenyl]phenyl]propionic acid Formula: C30H28N4O5 MolecularWeight: 524.56712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=N3)(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=N3)(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H28N4O5/c1-30(27(35)36,34-29(38)39-20-21-8-3-2-4-9-21)24-15-13-22(14-16-24)23-10-7-12-25(18-23)33-28(37)32-19-26-11-5-6-17-31-26/h2-18H,19-20H2,1H3,(H,34,38)(H,35,36)(H2,32,33,37)