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

Systemtic Name: (2S,3S)-3-methyl-2-[(6-oxidanylidenepyran-3-yl)carbonylamino]pentanoic acid Openeye Name: (2S,3S)-3-methyl-2-[(6-oxopyran-3-carbonyl)amino]pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[[oxo-(6-oxo-3-pyranyl)methyl]amino]pentanoic acid IUPAC Name: (2S,3S)-3-methyl-2-[(6-oxopyran-3-carbonyl)amino]pentanoic acid Traditional Name: (2S,3S)-2-[(6-ketopyran-3-carbonyl)amino]-3-methyl-valeric acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-3-7(2)10(12(16)17)13-11(15)8-4-5-9(14)18-6-8/h4-7,10H,3H2,1-2H3,(H,13,15)(H,16,17)/t7-,10-/m0/s1