(phenylmethyl) (2S)-2-[(2S)-2-[1,3-benzothiazol-2-yl(oxidanyl)methyl]pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(2S)-2-[1,3-benzothiazol-2-yl(oxidanyl)methyl]pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(2S)-2-[1,3-benzothiazol-2-yl(hydroxy)methyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(2S)-2-[1,3-benzothiazol-2-yl(hydroxy)methyl]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2S)-2-[1,3-benzothiazol-2-yl(hydroxy)methyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(2S)-2-[1,3-benzothiazol-2-yl(hydroxy)methyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)C(C4=NC5=CC=CC=C5S4)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3)C(C4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C25H27N3O4S/c29-22(23-26-18-10-4-5-13-21(18)33-23)19-11-6-14-27(19)24(30)20-12-7-15-28(20)25(31)32-16-17-8-2-1-3-9-17/h1-5,8-10,13,19-20,22,29H,6-7,11-12,14-16H2/t19-,20-,22?/m0/s1