(2R)-2-[(3-azaniumyl-3,3-diphosphonato-propyl)azaniumyl]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[(3-azaniumyl-3,3-diphosphonato-propyl)azaniumyl]-3-phenyl-propanoate Openeye Name: (2R)-2-[(3-azaniumyl-3,3-diphosphonato-propyl)ammonio]-3-phenyl-propanoate CAS Name: (2R)-2-[(3-ammonio-3,3-diphosphonatopropyl)ammonio]-3-phenylpropanoate IUPAC Name: (2R)-2-[(3-azaniumyl-3,3-diphosphonatopropyl)azaniumyl]-3-phenylpropanoate Traditional Name: (2R)-2-[(3-ammonio-3,3-diphosphonato-propyl)ammonio]-3-phenyl-propionate Formula: C12H17N2O8P2-3 MolecularWeight: 379.219502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])[NH2+]CCC([NH3+])(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)[O-])[NH2+]CCC([NH3+])(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C12H20N2O8P2/c13-12(23(17,18)19,24(20,21)22)6-7-14-10(11(15)16)8-9-4-2-1-3-5-9/h1-5,10,14H,6-8,13H2,(H,15,16)(H2,17,18,19)(H2,20,21,22)/p-3/t10-/m1/s1