3-[[2-[oxidanyl(4-phenylbutyl)phosphoryl]oxy-3-phenyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-[[2-[oxidanyl(4-phenylbutyl)phosphoryl]oxy-3-phenyl-propanoyl]amino]propanoic acid Openeye Name: 3-[[2-[hydroxy(4-phenylbutyl)phosphoryl]oxy-3-phenyl-propanoyl]amino]propanoic acid CAS Name: 3-[[2-[hydroxy(4-phenylbutyl)phosphoryl]oxy-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: 3-[[2-[hydroxy(4-phenylbutyl)phosphoryl]oxy-3-phenylpropanoyl]amino]propanoic acid Traditional Name: 3-[[2-[hydroxy(4-phenylbutyl)phosphoryl]oxy-3-phenyl-propanoyl]amino]propionic acid Formula: C22H28NO6P MolecularWeight: 433.434581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCP(=O)(O)OC(CC2=CC=CC=C2)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCP(=O)(O)OC(CC2=CC=CC=C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C22H28NO6P/c24-21(25)14-15-23-22(26)20(17-19-12-5-2-6-13-19)29-30(27,28)16-8-7-11-18-9-3-1-4-10-18/h1-6,9-10,12-13,20H,7-8,11,14-17H2,(H,23,26)(H,24,25)(H,27,28)