(2S)-2-azaniumyl-4-[oxidanidyl-(3-oxidanidyl-3-oxidanylidene-propyl)phosphoryl]-2-(phenylmethyl)butanoate

Systemtic Name: (2S)-2-azaniumyl-4-[oxidanidyl-(3-oxidanidyl-3-oxidanylidene-propyl)phosphoryl]-2-(phenylmethyl)butanoate Openeye Name: (2S)-2-azaniumyl-2-benzyl-4-[oxido-(3-oxido-3-oxo-propyl)phosphoryl]butanoate CAS Name: (2S)-2-ammonio-4-[oxido-(3-oxido-3-oxopropyl)phosphoryl]-2-(phenylmethyl)butanoate IUPAC Name: (2S)-2-azaniumyl-2-benzyl-4-[oxido-(3-oxido-3-oxopropyl)phosphoryl]butanoate Traditional Name: (2S)-2-ammonio-2-benzyl-4-[(3-keto-3-oxido-propyl)-oxido-phosphoryl]butyrate Formula: C14H18NO6P-2 MolecularWeight: 327.269581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20NO6P/c15-14(13(18)19,10-11-4-2-1-3-5-11)7-9-22(20,21)8-6-12(16)17/h1-5H,6-10,15H2,(H,16,17)(H,18,19)(H,20,21)/p-2/t14-/m1/s1