(2S)-3-methyl-2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methoxycarbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methoxycarbonylamino]butanoic acid Openeye Name: (2S)-2-[(5-hydroxy-4-oxo-pyran-2-yl)methoxycarbonylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(5-hydroxy-4-oxo-2-pyranyl)methoxy-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(5-hydroxy-4-oxopyran-2-yl)methoxycarbonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(5-hydroxy-4-keto-pyran-2-yl)methoxycarbonylamino]-3-methyl-butyric acid Formula: C12H15NO7 MolecularWeight: 285.25

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)OCC1=CC(=O)C(=CO1)O

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)OCC1=CC(=O)C(=CO1)O

InChI

InChI=1S/C12H15NO7/c1-6(2)10(11(16)17)13-12(18)20-4-7-3-8(14)9(15)5-19-7/h3,5-6,10,15H,4H2,1-2H3,(H,13,18)(H,16,17)/t10-/m0/s1