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

Systemtic Name: tert-butyl N-[(3S)-2-oxidanylidene-1-(prop-2-enylcarbamoyl)azepan-3-yl]carbamate Openeye Name: tert-butyl N-[(3S)-1-(allylcarbamoyl)-2-oxo-azepan-3-yl]carbamate CAS Name: N-[(3S)-2-oxo-1-[oxo-(prop-2-enylamino)methyl]-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-2-oxo-1-(prop-2-enylcarbamoyl)azepan-3-yl]carbamate Traditional Name: N-[(3S)-1-(allylcarbamoyl)-2-keto-azepan-3-yl]carbamic acid tert-butyl ester Formula: C15H25N3O4 MolecularWeight: 311.3767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O4/c1-5-9-16-13(20)18-10-7-6-8-11(12(18)19)17-14(21)22-15(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,16,20)(H,17,21)/t11-/m0/s1