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

Systemtic Name: tert-butyl (2S)-2-[(4-cyclobutyl-1,4-diazepan-1-yl)carbonyl]-2-(phenylmethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-benzyl-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(4-cyclobutyl-1,4-diazepan-1-yl)-oxomethyl]-2-(phenylmethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-benzyl-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-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)N1CCCC1(CC2=CC=CC=C2)C(=O)N3CCCN(CC3)C4CCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC=CC=C2)C(=O)N3CCCN(CC3)C4CCC4

InChI

InChI=1S/C26H39N3O3/c1-25(2,3)32-24(31)29-17-8-14-26(29,20-21-10-5-4-6-11-21)23(30)28-16-9-15-27(18-19-28)22-12-7-13-22/h4-6,10-11,22H,7-9,12-20H2,1-3H3/t26-/m0/s1