3-methyl-2-[2-[(3-oxidanylidene-2-phenyl-1H-isoindol-4-yl)carbonylamino]propanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-[(3-oxidanylidene-2-phenyl-1H-isoindol-4-yl)carbonylamino]propanoylamino]butanoic acid Openeye Name: 3-methyl-2-[2-[(3-oxo-2-phenyl-isoindoline-4-carbonyl)amino]propanoylamino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[[oxo-(3-oxo-2-phenyl-1H-isoindol-4-yl)methyl]amino]propyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]propanoylamino]butanoic acid Traditional Name: 2-[2-[(3-keto-2-phenyl-isoindoline-4-carbonyl)amino]propanoylamino]-3-methyl-butyric acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)C1=C2C(=CC=C1)CN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)C1=C2C(=CC=C1)CN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O5/c1-13(2)19(23(30)31)25-20(27)14(3)24-21(28)17-11-7-8-15-12-26(22(29)18(15)17)16-9-5-4-6-10-16/h4-11,13-14,19H,12H2,1-3H3,(H,24,28)(H,25,27)(H,30,31)