[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphonic acid

Systemtic Name: [2-methyl-1-(3-phenylpropanoylamino)propyl]phosphonic acid Openeye Name: [2-methyl-1-(3-phenylpropanoylamino)propyl]phosphonic acid CAS Name: [2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphonic acid IUPAC Name: [2-methyl-1-(3-phenylpropanoylamino)propyl]phosphonic acid Traditional Name: [1-(hydrocinnamoylamino)-2-methyl-propyl]phosphonic acid Formula: C13H20NO4P MolecularWeight: 285.275961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)O

Isomeric SMILES

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)O

InChI

InChI=1S/C13H20NO4P/c1-10(2)13(19(16,17)18)14-12(15)9-8-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,14,15)(H2,16,17,18)