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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)C3=CC(=CC=C3)NC(=O)NCC4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)C3=CC(=CC=C3)NC(=O)NCC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C30H28N4O5/c35-28(36)27(34-30(38)39-20-22-7-2-1-3-8-22)17-21-12-14-23(15-13-21)24-9-6-11-25(18-24)33-29(37)32-19-26-10-4-5-16-31-26/h1-16,18,27H,17,19-20H2,(H,34,38)(H,35,36)(H2,32,33,37)