tert-butyl N-[(3S)-1-(cyclobutylcarbamoyl)-2-oxidanylidene-azepan-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S)-1-(cyclobutylcarbamoyl)-2-oxidanylidene-azepan-3-yl]carbamate Openeye Name: tert-butyl N-[(3S)-1-(cyclobutylcarbamoyl)-2-oxo-azepan-3-yl]carbamate CAS Name: N-[(3S)-1-[(cyclobutylamino)-oxomethyl]-2-oxo-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-1-(cyclobutylcarbamoyl)-2-oxoazepan-3-yl]carbamate Traditional Name: N-[(3S)-1-(cyclobutylcarbamoyl)-2-keto-azepan-3-yl]carbamic acid tert-butyl ester Formula: C16H27N3O4 MolecularWeight: 325.40328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCN(C1=O)C(=O)NC2CCC2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCCCN(C1=O)C(=O)NC2CCC2

InChI

InChI=1S/C16H27N3O4/c1-16(2,3)23-15(22)18-12-9-4-5-10-19(13(12)20)14(21)17-11-7-6-8-11/h11-12H,4-10H2,1-3H3,(H,17,21)(H,18,22)/t12-/m0/s1