(phenylmethyl) (2R,4R)-2-[(4-cyclobutyl-1,4-diazepan-1-yl)carbonyl]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,4R)-2-[(4-cyclobutyl-1,4-diazepan-1-yl)carbonyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,4R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: (2R,4R)-2-[(4-cyclobutyl-1,4-diazepan-1-yl)-oxomethyl]-4-hydroxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,4R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-hydroxypyrrolidine-1-carboxylate Traditional Name: (2R,4R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-hydroxy-pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCCN(CC2)C(=O)C3CC(CN3C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

C1CC(C1)N2CCCN(CC2)C(=O)[C@H]3C[C@H](CN3C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C22H31N3O4/c26-19-14-20(25(15-19)22(28)29-16-17-6-2-1-3-7-17)21(27)24-11-5-10-23(12-13-24)18-8-4-9-18/h1-3,6-7,18-20,26H,4-5,8-16H2/t19-,20-/m1/s1