2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: 2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: 6-(benzyloxycarbonylamino)-2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-hexanoate CAS Name: 2-[hydroxy-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphoryl]oxy-6-(phenylmethoxycarbonylamino)hexanoate IUPAC Name: 2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)-2-[[1-(hydrocinnamoylamino)-2-methyl-propyl]-hydroxy-phosphoryl]oxy-hexanoate Formula: C27H36N2O8P- MolecularWeight: 547.557101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C27H37N2O8P/c1-20(2)25(29-24(30)17-16-21-11-5-3-6-12-21)38(34,35)37-23(26(31)32)15-9-10-18-28-27(33)36-19-22-13-7-4-8-14-22/h3-8,11-14,20,23,25H,9-10,15-19H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)(H,34,35)/p-1