1-[3-methyl-2-[(3-oxidanylidene-2-phenyl-1H-isoindol-4-yl)carbonylamino]butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-methyl-2-[(3-oxidanylidene-2-phenyl-1H-isoindol-4-yl)carbonylamino]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-methyl-2-[(3-oxo-2-phenyl-isoindoline-4-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-methyl-1-oxo-2-[[oxo-(3-oxo-2-phenyl-1H-isoindol-4-yl)methyl]amino]butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-methyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3-keto-2-phenyl-isoindoline-4-carbonyl)amino]-3-methyl-butanoyl]proline Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5/c1-15(2)21(24(31)27-13-7-12-19(27)25(32)33)26-22(29)18-11-6-8-16-14-28(23(30)20(16)18)17-9-4-3-5-10-17/h3-6,8-11,15,19,21H,7,12-14H2,1-2H3,(H,26,29)(H,32,33)