[(3R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-azepan-3-yl] cyclohexanecarboxylate

Systemtic Name: [(3R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-azepan-3-yl] cyclohexanecarboxylate Openeye Name: [(3R,6S)-6-(tert-butoxycarbonylamino)-7-oxo-azepan-3-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [(3R,6S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-3-azepanyl] ester IUPAC Name: [(3R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoazepan-3-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [(3R,6S)-6-(tert-butoxycarbonylamino)-7-keto-azepan-3-yl] ester Formula: C18H30N2O5 MolecularWeight: 354.4412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CNC1=O)OC(=O)C2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNC1=O)OC(=O)C2CCCCC2

InChI

InChI=1S/C18H30N2O5/c1-18(2,3)25-17(23)20-14-10-9-13(11-19-15(14)21)24-16(22)12-7-5-4-6-8-12/h12-14H,4-11H2,1-3H3,(H,19,21)(H,20,23)/t13-,14+/m1/s1