(2S)-2-azanyl-3-[1-oxidanidyl-4-phenyl-6-(phosphonomethyl)pyridin-1-ium-2-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[1-oxidanidyl-4-phenyl-6-(phosphonomethyl)pyridin-1-ium-2-yl]propanoic acid Openeye Name: (2S)-2-amino-3-[1-oxido-4-phenyl-6-(phosphonomethyl)pyridin-1-ium-2-yl]propanoic acid CAS Name: (2S)-2-amino-3-[1-oxido-4-phenyl-6-(phosphonomethyl)-2-pyridin-1-iumyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[1-oxido-4-phenyl-6-(phosphonomethyl)pyridin-1-ium-2-yl]propanoic acid Traditional Name: (2S)-2-amino-3-[1-oxido-4-phenyl-6-(phosphonomethyl)pyridin-1-ium-2-yl]propionic acid Formula: C15H17N2O6P MolecularWeight: 352.279041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)CP(=O)(O)O)[O-])CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)CP(=O)(O)O)[O-])C[C@@H](C(=O)O)N

InChI

InChI=1S/C15H17N2O6P/c16-14(15(18)19)8-12-6-11(10-4-2-1-3-5-10)7-13(17(12)20)9-24(21,22)23/h1-7,14H,8-9,16H2,(H,18,19)(H2,21,22,23)/t14-/m0/s1