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

Systemtic Name: 2-(phenylmethoxycarbonylamino)-3-[4-[3-(pyridin-4-ylcarbamoylamino)phenyl]phenyl]propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[4-[3-(4-pyridylcarbamoylamino)phenyl]phenyl]propanoic acid CAS Name: 3-[4-[3-[[oxo-(pyridin-4-ylamino)methyl]amino]phenyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-3-[4-[3-(pyridin-4-ylcarbamoylamino)phenyl]phenyl]propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[4-[3-(4-pyridylcarbamoylamino)phenyl]phenyl]propionic acid Formula: C29H26N4O5 MolecularWeight: 510.54054

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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)NC4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)C3=CC(=CC=C3)NC(=O)NC4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C29H26N4O5/c34-27(35)26(33-29(37)38-19-21-5-2-1-3-6-21)17-20-9-11-22(12-10-20)23-7-4-8-25(18-23)32-28(36)31-24-13-15-30-16-14-24/h1-16,18,26H,17,19H2,(H,33,37)(H,34,35)(H2,30,31,32,36)