3-(4-phenylphenyl)-3-[2-[3-(pyridin-2-ylamino)propoxycarbonylamino]ethanoylamino]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)OCCCNC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)OCCCNC3=CC=CC=N3

InChI

InChI=1S/C26H28N4O5/c31-24(18-29-26(34)35-16-6-15-28-23-9-4-5-14-27-23)30-22(17-25(32)33)21-12-10-20(11-13-21)19-7-2-1-3-8-19/h1-5,7-14,22H,6,15-18H2,(H,27,28)(H,29,34)(H,30,31)(H,32,33)