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

Systemtic Name: 3-[[2-methyl-1-(phenylmethoxycarbonylamino)propyl]-oxidanyl-phosphoryl]-2-phenyl-propanoic acid Openeye Name: 3-[[1-(benzyloxycarbonylamino)-2-methyl-propyl]-hydroxy-phosphoryl]-2-phenyl-propanoic acid CAS Name: 3-[hydroxy-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphoryl]-2-phenylpropanoic acid IUPAC Name: 3-[hydroxy-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphoryl]-2-phenylpropanoic acid Traditional Name: 3-[[1-(benzyloxycarbonylamino)-2-methyl-propyl]-hydroxy-phosphoryl]-2-phenyl-propionic acid Formula: C21H26NO6P MolecularWeight: 419.408001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26NO6P/c1-15(2)19(22-21(25)28-13-16-9-5-3-6-10-16)29(26,27)14-18(20(23)24)17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)