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

Systemtic Name: 6-azanyl-2-methyl-2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]hexanoic acid Openeye Name: 6-amino-2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]-2-methyl-hexanoic acid CAS Name: 6-amino-2-[hydroxy-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphoryl]-2-methylhexanoic acid IUPAC Name: 6-amino-2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]-2-methylhexanoic acid Traditional Name: 6-amino-2-[[1-(hydrocinnamoylamino)-2-methyl-propyl]-hydroxy-phosphoryl]-2-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)(C(C)(CCCCN)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H33N2O5P/c1-15(2)18(22-17(23)12-11-16-9-5-4-6-10-16)28(26,27)20(3,19(24)25)13-7-8-14-21/h4-6,9-10,15,18H,7-8,11-14,21H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)