[(S)-methylsulfanyl(phenylazanyl)methyl]-(3-oxidanyl-3,3-diphosphonato-propyl)azanium

Systemtic Name: [(S)-methylsulfanyl(phenylazanyl)methyl]-(3-oxidanyl-3,3-diphosphonato-propyl)azanium Openeye Name: [(S)-anilino(methylsulfanyl)methyl]-(3-hydroxy-3,3-diphosphonato-propyl)ammonium CAS Name: [(S)-anilino-(methylthio)methyl]-(3-hydroxy-3,3-diphosphonatopropyl)ammonium IUPAC Name: [(S)-anilino(methylsulfanyl)methyl]-(3-hydroxy-3,3-diphosphonatopropyl)azanium Traditional Name: [(S)-anilino-(methylthio)methyl]-(3-hydroxy-3,3-diphosphonato-propyl)ammonium Formula: C11H17N2O7P2S-3 MolecularWeight: 383.274402

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Descriptors Computed from Structure

Canonical SMILES:

CSC([NH2+]CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])NC1=CC=CC=C1

Isomeric SMILES

CS[C@H]([NH2+]CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])NC1=CC=CC=C1

InChI

InChI=1S/C11H20N2O7P2S/c1-23-10(13-9-5-3-2-4-6-9)12-8-7-11(14,21(15,16)17)22(18,19)20/h2-6,10,12-14H,7-8H2,1H3,(H2,15,16,17)(H2,18,19,20)/p-3/t10-/m1/s1