[(4Z)-6-methyl-5-oxidanylidene-4-[[[(2S)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]methylidene]pyridin-3-yl]-phosphonooxy-methanolate

Systemtic Name: [(4Z)-6-methyl-5-oxidanylidene-4-[[[(2S)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]methylidene]pyridin-3-yl]-phosphonooxy-methanolate Openeye Name: [(4Z)-4-[[[(1S)-1-carboxybutyl]amino]methylene]-6-methyl-5-oxo-3-pyridyl]-phosphonooxy-methanolate CAS Name: [(4Z)-4-[[[(2S)-1-hydroxy-1-oxopentan-2-yl]amino]methylidene]-6-methyl-5-oxo-3-pyridinyl]-phosphonooxymethanolate IUPAC Name: [(4Z)-4-[[[(2S)-1-hydroxy-1-oxopentan-2-yl]amino]methylidene]-6-methyl-5-oxopyridin-3-yl]-phosphonooxymethanolate Traditional Name: [(4Z)-4-[[[(1S)-1-carboxybutyl]amino]methylene]-5-keto-6-methyl-3-pyridyl]-phosphonooxy-methanolate Formula: C13H18N2O8P- MolecularWeight: 361.264381

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC=C1C(=CN=C(C1=O)C)C([O-])OP(=O)(O)O

Isomeric SMILES

CCC[C@@H](C(=O)O)N/C=C\1/C(=CN=C(C1=O)C)C([O-])OP(=O)(O)O

InChI

InChI=1S/C13H18N2O8P/c1-3-4-10(12(17)18)15-5-8-9(6-14-7(2)11(8)16)13(19)23-24(20,21)22/h5-6,10,13,15H,3-4H2,1-2H3,(H,17,18)(H2,20,21,22)/q-1/b8-5-/t10-,13?/m0/s1