2-[[2-(1-phenylethylcarbamoylamino)phenyl]carbonylamino]ethanoyl 3-(2-azanylpyridin-3-yl)propanoate

Systemtic Name: 2-[[2-(1-phenylethylcarbamoylamino)phenyl]carbonylamino]ethanoyl 3-(2-azanylpyridin-3-yl)propanoate Openeye Name: [2-[[2-(1-phenylethylcarbamoylamino)benzoyl]amino]acetyl] 3-(2-amino-3-pyridyl)propanoate CAS Name: 3-(2-amino-3-pyridinyl)propanoic acid [1-oxo-2-[[oxo-[2-[[oxo-(1-phenylethylamino)methyl]amino]phenyl]methyl]amino]ethyl] ester IUPAC Name: [2-[[2-(1-phenylethylcarbamoylamino)benzoyl]amino]acetyl] 3-(2-aminopyridin-3-yl)propanoate Traditional Name: 3-(2-amino-3-pyridyl)propionic acid [2-[[2-(1-phenylethylcarbamoylamino)benzoyl]amino]acetyl] ester Formula: C26H27N5O5 MolecularWeight: 489.52308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)NC2=CC=CC=C2C(=O)NCC(=O)OC(=O)CCC3=C(N=CC=C3)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)NC2=CC=CC=C2C(=O)NCC(=O)OC(=O)CCC3=C(N=CC=C3)N

InChI

InChI=1S/C26H27N5O5/c1-17(18-8-3-2-4-9-18)30-26(35)31-21-12-6-5-11-20(21)25(34)29-16-23(33)36-22(32)14-13-19-10-7-15-28-24(19)27/h2-12,15,17H,13-14,16H2,1H3,(H2,27,28)(H,29,34)(H2,30,31,35)