tert-butyl N-[(6S)-1-[2-(methylamino)-2-oxidanylidene-ethyl]-7-oxidanylidene-5,6-dihydro-2H-azepin-6-yl]carbamate

Systemtic Name: tert-butyl N-[(6S)-1-[2-(methylamino)-2-oxidanylidene-ethyl]-7-oxidanylidene-5,6-dihydro-2H-azepin-6-yl]carbamate Openeye Name: tert-butyl N-[(6S)-1-[2-(methylamino)-2-oxo-ethyl]-7-oxo-5,6-dihydro-2H-azepin-6-yl]carbamate CAS Name: N-[(6S)-1-[2-(methylamino)-2-oxoethyl]-7-oxo-5,6-dihydro-2H-azepin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(6S)-1-[2-(methylamino)-2-oxoethyl]-7-oxo-5,6-dihydro-2H-azepin-6-yl]carbamate Traditional Name: N-[(6S)-7-keto-1-[2-keto-2-(methylamino)ethyl]-5,6-dihydro-2H-azepin-6-yl]carbamic acid tert-butyl ester Formula: C14H23N3O4 MolecularWeight: 297.35012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC=CCN(C1=O)CC(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O4/c1-14(2,3)21-13(20)16-10-7-5-6-8-17(12(10)19)9-11(18)15-4/h5-6,10H,7-9H2,1-4H3,(H,15,18)(H,16,20)/t10-/m0/s1