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

Systemtic Name: 3-[[3-methyl-2-[(3-oxidanylidene-2-phenyl-1H-isoindol-4-yl)carbonylamino]butanoyl]amino]propanoic acid Openeye Name: 3-[[3-methyl-2-[(3-oxo-2-phenyl-isoindoline-4-carbonyl)amino]butanoyl]amino]propanoic acid CAS Name: 3-[[3-methyl-1-oxo-2-[[oxo-(3-oxo-2-phenyl-1H-isoindol-4-yl)methyl]amino]butyl]amino]propanoic acid IUPAC Name: 3-[[3-methyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]butanoyl]amino]propanoic acid Traditional Name: 3-[[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)NCCC(=O)O)NC(=O)C1=C2C(=CC=C1)CN(C2=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5/c1-14(2)20(22(30)24-12-11-18(27)28)25-21(29)17-10-6-7-15-13-26(23(31)19(15)17)16-8-4-3-5-9-16/h3-10,14,20H,11-13H2,1-2H3,(H,24,30)(H,25,29)(H,27,28)