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

Systemtic Name: tert-butyl (NE)-N-[[3-[[cycloheptylcarbamoyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Openeye Name: tert-butyl (NE)-N-[(tert-butoxycarbonylamino)-[3-[[cycloheptylcarbamoyl-(2-naphthylsulfonylamino)amino]methyl]-1-piperidyl]methylene]carbamate CAS Name: (NE)-N-[[3-[[[(cycloheptylamino)-oxomethyl]-(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-[[cycloheptylcarbamoyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Traditional Name: (NE)-N-[(tert-butoxycarbonylamino)-[3-[[cycloheptylcarbamoyl-(2-naphthylsulfonylamino)amino]methyl]piperidino]methylene]carbamic acid tert-butyl ester Formula: C35H52N6O7S MolecularWeight: 700.88838

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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)NC2CCCCCC2)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)NC2CCCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C35H52N6O7S/c1-34(2,3)47-32(43)37-30(38-33(44)48-35(4,5)6)40-21-13-14-25(23-40)24-41(31(42)36-28-17-9-7-8-10-18-28)39-49(45,46)29-20-19-26-15-11-12-16-27(26)22-29/h11-12,15-16,19-20,22,25,28,39H,7-10,13-14,17-18,21,23-24H2,1-6H3,(H,36,42)(H,37,38,43,44)