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

Systemtic Name: 2-[[3-methyl-2-[(3-oxidanylidene-2-phenyl-1H-isoindol-4-yl)carbonylamino]butanoyl]amino]ethanoic acid Openeye Name: 2-[[3-methyl-2-[(3-oxo-2-phenyl-isoindoline-4-carbonyl)amino]butanoyl]amino]acetic acid CAS Name: 2-[[3-methyl-1-oxo-2-[[oxo-(3-oxo-2-phenyl-1H-isoindol-4-yl)methyl]amino]butyl]amino]acetic acid IUPAC Name: 2-[[3-methyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]butanoyl]amino]acetic acid Traditional Name: 2-[[2-[(3-keto-2-phenyl-isoindoline-4-carbonyl)amino]-3-methyl-butanoyl]amino]acetic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-13(2)19(21(29)23-11-17(26)27)24-20(28)16-10-6-7-14-12-25(22(30)18(14)16)15-8-4-3-5-9-15/h3-10,13,19H,11-12H2,1-2H3,(H,23,29)(H,24,28)(H,26,27)