tert-butyl N-[(2S)-1-(azepan-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(azepan-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(azepane-1-carbonyl)-5-(tert-butoxycarbonylamino)pentyl]carbamate CAS Name: N-[(2S)-1-(1-azepanyl)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(azepan-1-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate Traditional Name: N-[(1S)-1-(azepane-1-carbonyl)-5-(tert-butoxycarbonylamino)pentyl]carbamic acid tert-butyl ester Formula: C22H41N3O5 MolecularWeight: 427.57804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)N1CCCCCC1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)N1CCCCCC1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H41N3O5/c1-21(2,3)29-19(27)23-14-10-9-13-17(24-20(28)30-22(4,5)6)18(26)25-15-11-7-8-12-16-25/h17H,7-16H2,1-6H3,(H,23,27)(H,24,28)/t17-/m0/s1