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

Systemtic Name: 3-phenyl-3-[2-[3-(pyridin-2-ylamino)propoxycarbonylamino]ethanoylamino]propanoic acid Openeye Name: 3-phenyl-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-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[[2-[3-(pyridin-2-ylamino)propoxycarbonylamino]acetyl]amino]propanoic acid Traditional Name: 3-phenyl-3-[[2-[3-(2-pyridylamino)propoxycarbonylamino]acetyl]amino]propionic acid Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CNC(=O)OCCCNC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CNC(=O)OCCCNC2=CC=CC=N2

InChI

InChI=1S/C20H24N4O5/c25-18(24-16(13-19(26)27)15-7-2-1-3-8-15)14-23-20(28)29-12-6-11-22-17-9-4-5-10-21-17/h1-5,7-10,16H,6,11-14H2,(H,21,22)(H,23,28)(H,24,25)(H,26,27)