methyl 3-(3-chloranyl-4-oxidanyl-phenyl)-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonyl-(phenylmethyl)amino]propanoate

Systemtic Name: methyl 3-(3-chloranyl-4-oxidanyl-phenyl)-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonyl-(phenylmethyl)amino]propanoate Openeye Name: methyl 2-[benzyl-(5-oxopyrrolidine-2-carbonyl)amino]-3-(3-chloro-4-hydroxy-phenyl)propanoate CAS Name: 3-(3-chloro-4-hydroxyphenyl)-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-[benzyl-(5-oxopyrrolidine-2-carbonyl)amino]-3-(3-chloro-4-hydroxyphenyl)propanoate Traditional Name: 2-[benzyl(pyroglutamoyl)amino]-3-(3-chloro-4-hydroxy-phenyl)propionic acid methyl ester Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)O)Cl)N(CC2=CC=CC=C2)C(=O)C3CCC(=O)N3

Isomeric SMILES

COC(=O)C(CC1=CC(=C(C=C1)O)Cl)N(CC2=CC=CC=C2)C(=O)C3CCC(=O)N3

InChI

InChI=1S/C22H23ClN2O5/c1-30-22(29)18(12-15-7-9-19(26)16(23)11-15)25(13-14-5-3-2-4-6-14)21(28)17-8-10-20(27)24-17/h2-7,9,11,17-18,26H,8,10,12-13H2,1H3,(H,24,27)