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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonyl-(phenylmethyl)amino]propanoic acid Openeye Name: 2-[benzyl-(5-oxopyrrolidine-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]-(phenylmethyl)amino]propanoic acid IUPAC Name: 2-[benzyl-(5-oxopyrrolidine-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[benzyl(pyroglutamoyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c24-16-8-6-14(7-9-16)12-18(21(27)28)23(13-15-4-2-1-3-5-15)20(26)17-10-11-19(25)22-17/h1-9,17-18,24H,10-13H2,(H,22,25)(H,27,28)