(phenylmethyl) (2S)-2-[[2-(4-aminocarbonylphenyl)-2-diethoxyphosphoryl-ethyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[2-(4-aminocarbonylphenyl)-2-diethoxyphosphoryl-ethyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[2-(4-carbamoylphenyl)-2-diethoxyphosphoryl-ethyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[2-(4-carbamoylphenyl)-2-diethoxyphosphorylethyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[2-(4-carbamoylphenyl)-2-diethoxyphosphorylethyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[2-(4-carbamoylphenyl)-2-diethoxyphosphoryl-ethyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C26H34N3O7P MolecularWeight: 531.537821

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CNC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)N)OCC

Isomeric SMILES

CCOP(=O)(C(CNC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)N)OCC

InChI

InChI=1S/C26H34N3O7P/c1-3-35-37(33,36-4-2)23(20-12-14-21(15-13-20)24(27)30)17-28-25(31)22-11-8-16-29(22)26(32)34-18-19-9-6-5-7-10-19/h5-7,9-10,12-15,22-23H,3-4,8,11,16-18H2,1-2H3,(H2,27,30)(H,28,31)/t22-,23?/m0/s1