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

Systemtic Name: (2S)-4-methyl-2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methoxycarbonylamino]pentanoic acid Openeye Name: (2S)-2-[(5-hydroxy-4-oxo-pyran-2-yl)methoxycarbonylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(5-hydroxy-4-oxo-2-pyranyl)methoxy-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(5-hydroxy-4-oxopyran-2-yl)methoxycarbonylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(5-hydroxy-4-keto-pyran-2-yl)methoxycarbonylamino]-4-methyl-valeric acid Formula: C13H17NO7 MolecularWeight: 299.27658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO7/c1-7(2)3-9(12(17)18)14-13(19)21-5-8-4-10(15)11(16)6-20-8/h4,6-7,9,16H,3,5H2,1-2H3,(H,14,19)(H,17,18)/t9-/m0/s1