(2S)-3-methyl-2-[(6-oxidanylidenepyran-3-yl)carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(6-oxidanylidenepyran-3-yl)carbonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[(6-oxopyran-3-carbonyl)amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[oxo-(6-oxo-3-pyranyl)methyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(6-oxopyran-3-carbonyl)amino]butanoic acid Traditional Name: (2S)-2-[(6-ketopyran-3-carbonyl)amino]-3-methyl-butyric acid Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=COC(=O)C=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=COC(=O)C=C1

InChI

InChI=1S/C11H13NO5/c1-6(2)9(11(15)16)12-10(14)7-3-4-8(13)17-5-7/h3-6,9H,1-2H3,(H,12,14)(H,15,16)/t9-/m0/s1