2-[[[3-methylsulfanyl-1-(phenylmethoxycarbonylamino)propyl]-oxidanyl-phosphoryl]methyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[[[3-methylsulfanyl-1-(phenylmethoxycarbonylamino)propyl]-oxidanyl-phosphoryl]methyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[[1-(benzyloxycarbonylamino)-3-methylsulfanyl-propyl]-hydroxy-phosphoryl]propanoic acid CAS Name: 2-[[hydroxy-[3-(methylthio)-1-(phenylmethoxycarbonylamino)propyl]phosphoryl]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[hydroxy-[3-methylsulfanyl-1-(phenylmethoxycarbonylamino)propyl]phosphoryl]propanoic acid Traditional Name: 2-benzyl-3-[[1-(benzyloxycarbonylamino)-3-(methylthio)propyl]-hydroxy-phosphoryl]propionic acid Formula: C22H28NO6PS MolecularWeight: 465.499581

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(NC(=O)OCC1=CC=CC=C1)P(=O)(CC(CC2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

CSCCC(NC(=O)OCC1=CC=CC=C1)P(=O)(CC(CC2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C22H28NO6PS/c1-31-13-12-20(23-22(26)29-15-18-10-6-3-7-11-18)30(27,28)16-19(21(24)25)14-17-8-4-2-5-9-17/h2-11,19-20H,12-16H2,1H3,(H,23,26)(H,24,25)(H,27,28)