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

Systemtic Name: 3-(3-chloranyl-4-oxidanyl-phenyl)-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonyl-(phenylmethyl)amino]propanoic acid Openeye Name: 2-[benzyl-(5-oxopyrrolidine-2-carbonyl)amino]-3-(3-chloro-4-hydroxy-phenyl)propanoic acid CAS Name: 3-(3-chloro-4-hydroxyphenyl)-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]-(phenylmethyl)amino]propanoic acid IUPAC Name: 2-[benzyl-(5-oxopyrrolidine-2-carbonyl)amino]-3-(3-chloro-4-hydroxyphenyl)propanoic acid Traditional Name: 2-[benzyl(pyroglutamoyl)amino]-3-(3-chloro-4-hydroxy-phenyl)propionic acid Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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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)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5/c22-15-10-14(6-8-18(15)25)11-17(21(28)29)24(12-13-4-2-1-3-5-13)20(27)16-7-9-19(26)23-16/h1-6,8,10,16-17,25H,7,9,11-12H2,(H,23,26)(H,28,29)