(3S)-4-oxidanyl-3-[[3-oxidanylidene-2-(2-piperidin-4-ylethyl)-1H-isoindol-5-yl]carbonylamino]butanoic acid

Systemtic Name: (3S)-4-oxidanyl-3-[[3-oxidanylidene-2-(2-piperidin-4-ylethyl)-1H-isoindol-5-yl]carbonylamino]butanoic acid Openeye Name: (3S)-4-hydroxy-3-[[3-oxo-2-[2-(4-piperidyl)ethyl]isoindoline-5-carbonyl]amino]butanoic acid CAS Name: (3S)-4-hydroxy-3-[[oxo-[3-oxo-2-[2-(4-piperidinyl)ethyl]-1H-isoindol-5-yl]methyl]amino]butanoic acid IUPAC Name: (3S)-4-hydroxy-3-[[3-oxo-2-(2-piperidin-4-ylethyl)-1H-isoindole-5-carbonyl]amino]butanoic acid Traditional Name: (3S)-4-hydroxy-3-[[3-keto-2-[2-(4-piperidyl)ethyl]isoindoline-5-carbonyl]amino]butyric acid Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCN2CC3=C(C2=O)C=C(C=C3)C(=O)NC(CC(=O)O)CO

Isomeric SMILES

C1CNCCC1CCN2CC3=C(C2=O)C=C(C=C3)C(=O)N[C@@H](CC(=O)O)CO

InChI

InChI=1S/C20H27N3O5/c24-12-16(10-18(25)26)22-19(27)14-1-2-15-11-23(20(28)17(15)9-14)8-5-13-3-6-21-7-4-13/h1-2,9,13,16,21,24H,3-8,10-12H2,(H,22,27)(H,25,26)/t16-/m0/s1