(phenylmethyl) (2S)-2-[[dimethoxyphosphoryl(phenyl)methyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[dimethoxyphosphoryl(phenyl)methyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[dimethoxyphosphoryl(phenyl)methyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[dimethoxyphosphoryl(phenyl)methyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[dimethoxyphosphoryl(phenyl)methyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[dimethoxyphosphoryl(phenyl)methyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H27N2O6P MolecularWeight: 446.433341

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(C(C1=CC=CC=C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COP(=O)(C(C1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H27N2O6P/c1-28-31(27,29-2)21(18-12-7-4-8-13-18)23-20(25)19-14-9-15-24(19)22(26)30-16-17-10-5-3-6-11-17/h3-8,10-13,19,21H,9,14-16H2,1-2H3,(H,23,25)/t19-,21?/m0/s1