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

Systemtic Name: 3-[2-[(3-oxidanylidene-2-phenyl-1H-isoindol-4-yl)carbonylamino]propanoylamino]propanoic acid Openeye Name: 3-[2-[(3-oxo-2-phenyl-isoindoline-4-carbonyl)amino]propanoylamino]propanoic acid CAS Name: 3-[[1-oxo-2-[[oxo-(3-oxo-2-phenyl-1H-isoindol-4-yl)methyl]amino]propyl]amino]propanoic acid IUPAC Name: 3-[2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]propanoylamino]propanoic acid Traditional Name: 3-[2-[(3-keto-2-phenyl-isoindoline-4-carbonyl)amino]propanoylamino]propionic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-13(19(27)22-11-10-17(25)26)23-20(28)16-9-5-6-14-12-24(21(29)18(14)16)15-7-3-2-4-8-15/h2-9,13H,10-12H2,1H3,(H,22,27)(H,23,28)(H,25,26)