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

Systemtic Name: tert-butyl N-[(3S)-1-aminocarbonyl-2-oxidanylidene-azepan-3-yl]carbamate Openeye Name: tert-butyl N-[(3S)-1-carbamoyl-2-oxo-azepan-3-yl]carbamate CAS Name: N-[(3S)-1-carbamoyl-2-oxo-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-1-carbamoyl-2-oxoazepan-3-yl]carbamate Traditional Name: N-[(3S)-1-carbamoyl-2-keto-azepan-3-yl]carbamic acid tert-butyl ester Formula: C12H21N3O4 MolecularWeight: 271.31284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O4/c1-12(2,3)19-11(18)14-8-6-4-5-7-15(9(8)16)10(13)17/h8H,4-7H2,1-3H3,(H2,13,17)(H,14,18)/t8-/m0/s1