tert-butyl N-[(1S)-2-[(1S,3S,5S)-3-cyano-4-azabicyclo[3.1.0]hexan-4-yl]-1-[1-(hydroxymethyl)cyclohexyl]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[(1S)-2-[(1S,3S,5S)-3-cyano-4-azabicyclo[3.1.0]hexan-4-yl]-1-[1-(hydroxymethyl)cyclohexyl]-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[(1S,3S,5S)-3-cyano-4-azabicyclo[3.1.0]hexan-4-yl]-1-[1-(hydroxymethyl)cyclohexyl]-2-oxo-ethyl]carbamate CAS Name: N-[(1S)-2-[(1S,3S,5S)-3-cyano-4-azabicyclo[3.1.0]hexan-4-yl]-1-[1-(hydroxymethyl)cyclohexyl]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S)-2-[(1S,3S,5S)-3-cyano-4-azabicyclo[3.1.0]hexan-4-yl]-1-[1-(hydroxymethyl)cyclohexyl]-2-oxoethyl]carbamate Traditional Name: N-[(1S)-2-[(1S,3S,5S)-3-cyano-4-azabicyclo[3.1.0]hexan-4-yl]-2-keto-1-(1-methylolcyclohexyl)ethyl]carbamic acid tert-butyl ester Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)N1C(CC2C1C2)C#N)C3(CCCCC3)CO

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@@H](C[C@H]2[C@@H]1C2)C#N)C3(CCCCC3)CO

InChI

InChI=1S/C20H31N3O4/c1-19(2,3)27-18(26)22-16(20(12-24)7-5-4-6-8-20)17(25)23-14(11-21)9-13-10-15(13)23/h13-16,24H,4-10,12H2,1-3H3,(H,22,26)/t13-,14+,15+,16-/m1/s1