(phenylmethyl) (2S,4S)-4-diphenylphosphinothioyl-2-[[(2S)-3-methyl-1-oxidanyl-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,4S)-4-diphenylphosphinothioyl-2-[[(2S)-3-methyl-1-oxidanyl-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,4S)-4-diphenylphosphinothioyl-2-[[(1S)-1-(hydroxymethyl)-2-methyl-propyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-diphenylphosphinothioyl-2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4S)-4-diphenylphosphinothioyl-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-diphenylthiophosphoryl-2-[[(1S)-2-methyl-1-methylol-propyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C30H35N2O4PS MolecularWeight: 550.648661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC(=O)C1CC(CN1C(=O)OCC2=CC=CC=C2)P(=S)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](CO)NC(=O)[C@@H]1C[C@@H](CN1C(=O)OCC2=CC=CC=C2)P(=S)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H35N2O4PS/c1-22(2)27(20-33)31-29(34)28-18-26(19-32(28)30(35)36-21-23-12-6-3-7-13-23)37(38,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,22,26-28,33H,18-21H2,1-2H3,(H,31,34)/t26-,27+,28-/m0/s1