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

Systemtic Name: tert-butyl (2S,4R)-2-[(4-cyclobutyl-1,4-diazepan-1-yl)carbonyl]-4-(phenylmethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4R)-4-benzyl-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-[(4-cyclobutyl-1,4-diazepan-1-yl)-oxomethyl]-4-(phenylmethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4R)-4-benzyl-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-benzyl-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H39N3O3 MolecularWeight: 441.60616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCN(CC2)C3CCC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)N2CCCN(CC2)C3CCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H39N3O3/c1-26(2,3)32-25(31)29-19-21(17-20-9-5-4-6-10-20)18-23(29)24(30)28-14-8-13-27(15-16-28)22-11-7-12-22/h4-6,9-10,21-23H,7-8,11-19H2,1-3H3/t21-,23+/m1/s1