3-(4-benzamidophenyl)-2-[(3-chlorophenyl)methyl-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-amino]propanoic acid

Systemtic Name: 3-(4-benzamidophenyl)-2-[(3-chlorophenyl)methyl-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-amino]propanoic acid Openeye Name: 3-(4-benzamidophenyl)-2-[(3-chlorophenyl)methyl-(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid CAS Name: 3-(4-benzamidophenyl)-2-[(3-chlorophenyl)methyl-[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]propanoic acid IUPAC Name: 3-(4-benzamidophenyl)-2-[(3-chlorophenyl)methyl-(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-(4-benzamidophenyl)-2-[(3-chlorobenzyl)-pyroglutamoyl-amino]propionic acid Formula: C28H26ClN3O5 MolecularWeight: 519.97614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)N(CC2=CC(=CC=C2)Cl)C(CC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(=O)NC1C(=O)N(CC2=CC(=CC=C2)Cl)C(CC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H26ClN3O5/c29-21-8-4-5-19(15-21)17-32(27(35)23-13-14-25(33)31-23)24(28(36)37)16-18-9-11-22(12-10-18)30-26(34)20-6-2-1-3-7-20/h1-12,15,23-24H,13-14,16-17H2,(H,30,34)(H,31,33)(H,36,37)