2-[[2-methyl-1-(2-phenylethanoylamino)propyl]-phenylmethoxy-phosphoryl]oxy-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 2-[[2-methyl-1-(2-phenylethanoylamino)propyl]-phenylmethoxy-phosphoryl]oxy-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 6-(benzyloxycarbonylamino)-2-[benzyloxy-[2-methyl-1-[(2-phenylacetyl)amino]propyl]phosphoryl]oxy-hexanoic acid CAS Name: 2-[[2-methyl-1-[(1-oxo-2-phenylethyl)amino]propyl]-phenylmethoxyphosphoryl]oxy-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 2-[[2-methyl-1-[(2-phenylacetyl)amino]propyl]-phenylmethoxyphosphoryl]oxy-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 2-[benzoxy-[2-methyl-1-[(2-phenylacetyl)amino]propyl]phosphoryl]oxy-6-(benzyloxycarbonylamino)hexanoic acid Formula: C33H41N2O8P MolecularWeight: 624.661001

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)CC1=CC=CC=C1)P(=O)(OCC2=CC=CC=C2)OC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C(NC(=O)CC1=CC=CC=C1)P(=O)(OCC2=CC=CC=C2)OC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C33H41N2O8P/c1-25(2)31(35-30(36)22-26-14-6-3-7-15-26)44(40,42-24-28-18-10-5-11-19-28)43-29(32(37)38)20-12-13-21-34-33(39)41-23-27-16-8-4-9-17-27/h3-11,14-19,25,29,31H,12-13,20-24H2,1-2H3,(H,34,39)(H,35,36)(H,37,38)