(2S)-2-[[(2-ethoxy-2-oxidanylidene-ethyl)-methyl-azaniumyl]methyl-oxidanyl-phosphoryl]-3-(furan-2-yl)propanoate

Systemtic Name: (2S)-2-[[(2-ethoxy-2-oxidanylidene-ethyl)-methyl-azaniumyl]methyl-oxidanyl-phosphoryl]-3-(furan-2-yl)propanoate Openeye Name: (2S)-2-[[(2-ethoxy-2-oxo-ethyl)-methyl-ammonio]methyl-hydroxy-phosphoryl]-3-(2-furyl)propanoate CAS Name: (2S)-2-[[(2-ethoxy-2-oxoethyl)-methylammonio]methyl-hydroxyphosphoryl]-3-(2-furanyl)propanoate IUPAC Name: (2S)-2-[[(2-ethoxy-2-oxoethyl)-methylazaniumyl]methyl-hydroxyphosphoryl]-3-(furan-2-yl)propanoate Traditional Name: (2S)-2-[[(2-ethoxy-2-keto-ethyl)-methyl-ammonio]methyl-hydroxy-phosphoryl]-3-(2-furyl)propionate Formula: C13H20NO7P MolecularWeight: 333.274161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+](C)CP(=O)(C(CC1=CC=CO1)C(=O)[O-])O

Isomeric SMILES

CCOC(=O)C[NH+](C)CP(=O)([C@@H](CC1=CC=CO1)C(=O)[O-])O

InChI

InChI=1S/C13H20NO7P/c1-3-20-12(15)8-14(2)9-22(18,19)11(13(16)17)7-10-5-4-6-21-10/h4-6,11H,3,7-9H2,1-2H3,(H,16,17)(H,18,19)/t11-/m0/s1