3-(4-hydroxyphenyl)-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonyl-(pyridin-3-ylmethyl)amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonyl-(pyridin-3-ylmethyl)amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[(5-oxopyrrolidine-2-carbonyl)-(3-pyridylmethyl)amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]-(3-pyridinylmethyl)amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[(5-oxopyrrolidine-2-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[3-pyridylmethyl(pyroglutamoyl)amino]propionic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)N(CC2=CN=CC=C2)C(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

C1CC(=O)NC1C(=O)N(CC2=CN=CC=C2)C(CC3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C20H21N3O5/c24-15-5-3-13(4-6-15)10-17(20(27)28)23(12-14-2-1-9-21-11-14)19(26)16-7-8-18(25)22-16/h1-6,9,11,16-17,24H,7-8,10,12H2,(H,22,25)(H,27,28)