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

Systemtic Name: 3-phenyl-3-[2-[3-(pyridin-2-ylamino)propylcarbamoylamino]ethanoylamino]propanoic acid Openeye Name: 3-phenyl-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-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[[2-[3-(pyridin-2-ylamino)propylcarbamoylamino]acetyl]amino]propanoic acid Traditional Name: 3-phenyl-3-[[2-[3-(2-pyridylamino)propylcarbamoylamino]acetyl]amino]propionic acid Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CNC(=O)NCCCNC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CNC(=O)NCCCNC2=CC=CC=N2

InChI

InChI=1S/C20H25N5O4/c26-18(25-16(13-19(27)28)15-7-2-1-3-8-15)14-24-20(29)23-12-6-11-22-17-9-4-5-10-21-17/h1-5,7-10,16H,6,11-14H2,(H,21,22)(H,25,26)(H,27,28)(H2,23,24,29)