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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5/c1-13(2)19(21(28)24-14(3)23(30)31)25-20(27)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)