3-(3-methyl-4-phenyl-phenyl)-3-[2-[2-(pyridin-2-ylamino)ethoxycarbonylamino]ethanoylamino]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CC(=O)O)NC(=O)CNC(=O)OCCNC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(CC(=O)O)NC(=O)CNC(=O)OCCNC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C26H28N4O5/c1-18-15-20(10-11-21(18)19-7-3-2-4-8-19)22(16-25(32)33)30-24(31)17-29-26(34)35-14-13-28-23-9-5-6-12-27-23/h2-12,15,22H,13-14,16-17H2,1H3,(H,27,28)(H,29,34)(H,30,31)(H,32,33)