3-[[2-[phenethyl(phenylmethoxy)phosphoryl]oxy-3-phenyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-[[2-[phenethyl(phenylmethoxy)phosphoryl]oxy-3-phenyl-propanoyl]amino]propanoic acid Openeye Name: 3-[[2-[benzyloxy(phenethyl)phosphoryl]oxy-3-phenyl-propanoyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[phenethyl(phenylmethoxy)phosphoryl]oxy-3-phenylpropyl]amino]propanoic acid IUPAC Name: 3-[[2-[phenethyl(phenylmethoxy)phosphoryl]oxy-3-phenylpropanoyl]amino]propanoic acid Traditional Name: 3-[[2-[benzoxy(phenethyl)phosphoryl]oxy-3-phenyl-propanoyl]amino]propionic acid Formula: C27H30NO6P MolecularWeight: 495.503961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCP(=O)(OCC2=CC=CC=C2)OC(CC3=CC=CC=C3)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCP(=O)(OCC2=CC=CC=C2)OC(CC3=CC=CC=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C27H30NO6P/c29-26(30)16-18-28-27(31)25(20-23-12-6-2-7-13-23)34-35(32,19-17-22-10-4-1-5-11-22)33-21-24-14-8-3-9-15-24/h1-15,25H,16-21H2,(H,28,31)(H,29,30)