tert-butyl 4-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-3-oxidanylidene-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-3-oxidanylidene-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[(1S)-1-(hydroxymethyl)-3-methyl-butyl]-3-oxo-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-oxo-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-oxo-1,4-diazepane-1-carboxylate Traditional Name: 3-keto-4-[(1S)-3-methyl-1-methylol-butyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C16H30N2O4 MolecularWeight: 314.4204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)N1CCCN(CC1=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](CO)N1CCCN(CC1=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H30N2O4/c1-12(2)9-13(11-19)18-8-6-7-17(10-14(18)20)15(21)22-16(3,4)5/h12-13,19H,6-11H2,1-5H3/t13-/m0/s1