(2S)-4-methyl-2-[(3-oxidanylidene-2-phenyl-1H-isoindol-4-yl)carbonylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[(3-oxidanylidene-2-phenyl-1H-isoindol-4-yl)carbonylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[(3-oxo-2-phenyl-isoindoline-4-carbonyl)amino]pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-(3-oxo-2-phenyl-1H-isoindol-4-yl)methyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]pentanoate Traditional Name: (2S)-2-[(3-keto-2-phenyl-isoindoline-4-carbonyl)amino]-4-methyl-valerate Formula: C21H21N2O4- MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)C1=C2C(=CC=C1)CN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-13(2)11-17(21(26)27)22-19(24)16-10-6-7-14-12-23(20(25)18(14)16)15-8-4-3-5-9-15/h3-10,13,17H,11-12H2,1-2H3,(H,22,24)(H,26,27)/p-1/t17-/m0/s1