(phenylmethyl) (2S)-2-[[(2S)-1-phenyl-3-sulfanyl-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-1-phenyl-3-sulfanyl-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[(1S)-1-benzyl-2-sulfanyl-ethyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(2S)-1-mercapto-3-phenylpropan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-1-phenyl-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(1S)-1-benzyl-2-mercapto-ethyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)CS

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)CS

InChI

InChI=1S/C22H26N2O3S/c25-21(23-19(16-28)14-17-8-3-1-4-9-17)20-12-7-13-24(20)22(26)27-15-18-10-5-2-6-11-18/h1-6,8-11,19-20,28H,7,12-16H2,(H,23,25)/t19-,20-/m0/s1