(phenylmethyl) (2S)-2-[(1-dimethoxyphosphoryl-3-methyl-butyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(1-dimethoxyphosphoryl-3-methyl-butyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(1-dimethoxyphosphoryl-3-methyl-butyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(1-dimethoxyphosphoryl-3-methylbutyl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(1-dimethoxyphosphoryl-3-methylbutyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(1-dimethoxyphosphoryl-3-methyl-butyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H31N2O6P MolecularWeight: 426.443701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2)P(=O)(OC)OC

Isomeric SMILES

CC(C)CC(NC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2)P(=O)(OC)OC

InChI

InChI=1S/C20H31N2O6P/c1-15(2)13-18(29(25,26-3)27-4)21-19(23)17-11-8-12-22(17)20(24)28-14-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,8,11-14H2,1-4H3,(H,21,23)/t17-,18?/m0/s1