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

Systemtic Name: 3-(4-phenylphenyl)-3-[2-[2-(pyridin-2-ylamino)ethylcarbamoylamino]ethanoylamino]propanoic acid Openeye Name: 3-(4-phenylphenyl)-3-[[2-[2-(2-pyridylamino)ethylcarbamoylamino]acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[2-(2-pyridinylamino)ethylamino]methyl]amino]ethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-(4-phenylphenyl)-3-[[2-[2-(pyridin-2-ylamino)ethylcarbamoylamino]acetyl]amino]propanoic acid Traditional Name: 3-(4-phenylphenyl)-3-[[2-[2-(2-pyridylamino)ethylcarbamoylamino]acetyl]amino]propionic acid Formula: C25H27N5O4 MolecularWeight: 461.51298

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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)NCCNC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)NCCNC3=CC=CC=N3

InChI

InChI=1S/C25H27N5O4/c31-23(17-29-25(34)28-15-14-27-22-8-4-5-13-26-22)30-21(16-24(32)33)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-13,21H,14-17H2,(H,26,27)(H,30,31)(H,32,33)(H2,28,29,34)