tert-butyl (NE)-N-[[3-[[azepan-1-ylcarbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate

Systemtic Name: tert-butyl (NE)-N-[[3-[[azepan-1-ylcarbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Openeye Name: tert-butyl (NE)-N-[[3-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]-1-piperidyl]-(tert-butoxycarbonylamino)methylene]carbamate CAS Name: (NE)-N-[[3-[[[1-azepanyl(oxo)methyl]-(2-naphthalenylsulfonylamino)amino]methyl]-1-piperidinyl]-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NE)-N-[[3-[[azepane-1-carbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Traditional Name: (NE)-N-[[3-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]piperidino]-(tert-butoxycarbonylamino)methylene]carbamic acid tert-butyl ester Formula: C34H50N6O7S MolecularWeight: 686.8618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1CCCC(C1)CN(C(=O)N2CCCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=N\C(=O)OC(C)(C)C)/N1CCCC(C1)CN(C(=O)N2CCCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C34H50N6O7S/c1-33(2,3)46-30(41)35-29(36-31(42)47-34(4,5)6)39-21-13-14-25(23-39)24-40(32(43)38-19-11-7-8-12-20-38)37-48(44,45)28-18-17-26-15-9-10-16-27(26)22-28/h9-10,15-18,22,25,37H,7-8,11-14,19-21,23-24H2,1-6H3,(H,35,36,41,42)