(2S,3R)-2-azanyl-3-oxidanyl-butanoic acid; (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (2S,3R)-2-azanyl-3-oxidanyl-butanoic acid; (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (2S,3R)-2-amino-3-hydroxy-butanoic acid; (E)-4-methoxy-4-oxo-but-2-enoic acid CAS Name: (2S,3R)-2-amino-3-hydroxybutanoic acid; (E)-4-methoxy-4-oxo-2-butenoic acid IUPAC Name: (2S,3R)-2-amino-3-hydroxybutanoic acid; (E)-4-methoxy-4-oxobut-2-enoic acid Traditional Name: (2S,3R)-2-amino-3-hydroxy-butyric acid; (E)-4-keto-4-methoxy-but-2-enoic acid Formula: C9H15NO7 MolecularWeight: 249.2179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)N)O.COC(=O)C=CC(=O)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)N)O.COC(=O)/C=C/C(=O)O

InChI

InChI=1S/C5H6O4.C4H9NO3/c1-9-5(8)3-2-4(6)7;1-2(6)3(5)4(7)8/h2-3H,1H3,(H,6,7);2-3,6H,5H2,1H3,(H,7,8)/b3-2+;/t;2-,3+/m.1/s1