6-azanyl-2-[[cyclobutyl-(3-phenylpropanoylamino)methyl]-oxidanyl-phosphoryl]oxy-hexanoic acid

Systemtic Name: 6-azanyl-2-[[cyclobutyl-(3-phenylpropanoylamino)methyl]-oxidanyl-phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[[cyclobutyl-(3-phenylpropanoylamino)methyl]-hydroxy-phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[[cyclobutyl-[(1-oxo-3-phenylpropyl)amino]methyl]-hydroxyphosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[[cyclobutyl-(3-phenylpropanoylamino)methyl]-hydroxyphosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[[cyclobutyl-(hydrocinnamoylamino)methyl]-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C20H31N2O6P MolecularWeight: 426.443701

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(NC(=O)CCC2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

Isomeric SMILES

C1CC(C1)C(NC(=O)CCC2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

InChI

InChI=1S/C20H31N2O6P/c21-14-5-4-11-17(20(24)25)28-29(26,27)19(16-9-6-10-16)22-18(23)13-12-15-7-2-1-3-8-15/h1-3,7-8,16-17,19H,4-6,9-14,21H2,(H,22,23)(H,24,25)(H,26,27)