3-(4-phenylphenyl)-3-[2-[1-(pyridin-2-ylamino)ethoxycarbonylamino]propanoylamino]propanoic acid

Systemtic Name: 3-(4-phenylphenyl)-3-[2-[1-(pyridin-2-ylamino)ethoxycarbonylamino]propanoylamino]propanoic acid Openeye Name: 3-(4-phenylphenyl)-3-[2-[1-(2-pyridylamino)ethoxycarbonylamino]propanoylamino]propanoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[1-(2-pyridinylamino)ethoxy]methyl]amino]propyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-(4-phenylphenyl)-3-[2-[1-(pyridin-2-ylamino)ethoxycarbonylamino]propanoylamino]propanoic acid Traditional Name: 3-(4-phenylphenyl)-3-[2-[1-(2-pyridylamino)ethoxycarbonylamino]propanoylamino]propionic acid Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)NC3=CC=CC=N3

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)NC3=CC=CC=N3

InChI

InChI=1S/C26H28N4O5/c1-17(28-26(34)35-18(2)29-23-10-6-7-15-27-23)25(33)30-22(16-24(31)32)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-15,17-18,22H,16H2,1-2H3,(H,27,29)(H,28,34)(H,30,33)(H,31,32)