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

Systemtic Name: 3-(4-phenylphenyl)-3-[2-[3-(pyridin-2-ylamino)propylcarbamoylamino]ethanoylamino]propanoic acid Openeye Name: 3-(4-phenylphenyl)-3-[[2-[3-(2-pyridylamino)propylcarbamoylamino]acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[3-(2-pyridinylamino)propylamino]methyl]amino]ethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-(4-phenylphenyl)-3-[[2-[3-(pyridin-2-ylamino)propylcarbamoylamino]acetyl]amino]propanoic acid Traditional Name: 3-(4-phenylphenyl)-3-[[2-[3-(2-pyridylamino)propylcarbamoylamino]acetyl]amino]propionic acid Formula: C26H29N5O4 MolecularWeight: 475.53956

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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)NCCCNC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)NCCCNC3=CC=CC=N3

InChI

InChI=1S/C26H29N5O4/c32-24(18-30-26(35)29-16-6-15-28-23-9-4-5-14-27-23)31-22(17-25(33)34)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,31,32)(H,33,34)(H2,29,30,35)