2-[[[(4-methylphenyl)-(phenylmethoxycarbonylamino)methyl]-oxidanyl-phosphoryl]methyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[[[(4-methylphenyl)-(phenylmethoxycarbonylamino)methyl]-oxidanyl-phosphoryl]methyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[[benzyloxycarbonylamino(p-tolyl)methyl]-hydroxy-phosphoryl]propanoic acid CAS Name: 2-[[hydroxy-[(4-methylphenyl)-(phenylmethoxycarbonylamino)methyl]phosphoryl]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[hydroxy-[(4-methylphenyl)-(phenylmethoxycarbonylamino)methyl]phosphoryl]propanoic acid Traditional Name: 2-benzyl-3-[[benzyloxycarbonylamino(p-tolyl)methyl]-hydroxy-phosphoryl]propionic acid Formula: C26H28NO6P MolecularWeight: 481.477381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(NC(=O)OCC2=CC=CC=C2)P(=O)(CC(CC3=CC=CC=C3)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(NC(=O)OCC2=CC=CC=C2)P(=O)(CC(CC3=CC=CC=C3)C(=O)O)O

InChI

InChI=1S/C26H28NO6P/c1-19-12-14-22(15-13-19)24(27-26(30)33-17-21-10-6-3-7-11-21)34(31,32)18-23(25(28)29)16-20-8-4-2-5-9-20/h2-15,23-24H,16-18H2,1H3,(H,27,30)(H,28,29)(H,31,32)