2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanylidene-phosphaniumyl]oxy-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: 2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanylidene-phosphaniumyl]oxy-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: 6-(benzyloxycarbonylamino)-2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxo-phosphaniumyl]oxy-hexanoate CAS Name: 2-[[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]-oxophosphiniumyl]oxy-6-(phenylmethoxycarbonylamino)hexanoate IUPAC Name: 2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxophosphaniumyl]oxy-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)-2-[[1-(hydrocinnamoylamino)-2-methyl-propyl]-keto-phosphiniumyl]oxy-hexanoate Formula: C27H35N2O7P MolecularWeight: 530.549761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N2O7P/c1-20(2)25(29-24(30)17-16-21-11-5-3-6-12-21)37(34)36-23(26(31)32)15-9-10-18-28-27(33)35-19-22-13-7-4-8-14-22/h3-8,11-14,20,23,25H,9-10,15-19H2,1-2H3,(H2-,28,29,30,31,32,33)