6-azanyl-2-[[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]methyl]hexanoic acid

Systemtic Name: 6-azanyl-2-[[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]methyl]hexanoic acid Openeye Name: 6-amino-2-[[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]methyl]hexanoic acid CAS Name: 6-amino-2-[[hydroxy-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphoryl]methyl]hexanoic acid IUPAC Name: 6-amino-2-[[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]methyl]hexanoic acid Traditional Name: 6-amino-2-[[[1-(hydrocinnamoylamino)-2-methyl-propyl]-hydroxy-phosphoryl]methyl]hexanoic acid Formula: C20H33N2O5P MolecularWeight: 412.460181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N2O5P/c1-15(2)19(22-18(23)12-11-16-8-4-3-5-9-16)28(26,27)14-17(20(24)25)10-6-7-13-21/h3-5,8-9,15,17,19H,6-7,10-14,21H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)