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

Systemtic Name: methyl 3-(4-benzamidophenyl)-2-[(3-chlorophenyl)methyl-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-amino]propanoate Openeye Name: methyl 3-(4-benzamidophenyl)-2-[(3-chlorophenyl)methyl-(5-oxopyrrolidine-2-carbonyl)amino]propanoate CAS Name: 3-(4-benzamidophenyl)-2-[(3-chlorophenyl)methyl-[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-benzamidophenyl)-2-[(3-chlorophenyl)methyl-(5-oxopyrrolidine-2-carbonyl)amino]propanoate Traditional Name: 3-(4-benzamidophenyl)-2-[(3-chlorobenzyl)-pyroglutamoyl-amino]propionic acid methyl ester Formula: C29H28ClN3O5 MolecularWeight: 534.00272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)N(CC3=CC(=CC=C3)Cl)C(=O)C4CCC(=O)N4

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)N(CC3=CC(=CC=C3)Cl)C(=O)C4CCC(=O)N4

InChI

InChI=1S/C29H28ClN3O5/c1-38-29(37)25(17-19-10-12-23(13-11-19)31-27(35)21-7-3-2-4-8-21)33(18-20-6-5-9-22(30)16-20)28(36)24-14-15-26(34)32-24/h2-13,16,24-25H,14-15,17-18H2,1H3,(H,31,35)(H,32,34)