(2S)-2-azaniumyl-2-methyl-4-[oxidanyl(phenethyl)phosphoryl]butanoate

Systemtic Name: (2S)-2-azaniumyl-2-methyl-4-[oxidanyl(phenethyl)phosphoryl]butanoate Openeye Name: (2S)-2-azaniumyl-4-[hydroxy(phenethyl)phosphoryl]-2-methyl-butanoate CAS Name: (2S)-2-ammonio-4-[hydroxy(phenethyl)phosphoryl]-2-methylbutanoate IUPAC Name: (2S)-2-azaniumyl-4-[hydroxy(phenethyl)phosphoryl]-2-methylbutanoate Traditional Name: (2S)-2-ammonio-4-[hydroxy(phenethyl)phosphoryl]-2-methyl-butyrate Formula: C13H20NO4P MolecularWeight: 285.275961

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCP(=O)(CCC1=CC=CC=C1)O)(C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@](CCP(=O)(CCC1=CC=CC=C1)O)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H20NO4P/c1-13(14,12(15)16)8-10-19(17,18)9-7-11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3,(H,15,16)(H,17,18)/t13-/m0/s1