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

Systemtic Name: tert-butyl (NE)-N-[[3-[[cyclopentylcarbamoyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Openeye Name: tert-butyl (NE)-N-[(tert-butoxycarbonylamino)-[3-[[cyclopentylcarbamoyl-(2-naphthylsulfonylamino)amino]methyl]-1-piperidyl]methylene]carbamate CAS Name: (NE)-N-[[3-[[[(cyclopentylamino)-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-[[cyclopentylcarbamoyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Traditional Name: (NE)-N-[(tert-butoxycarbonylamino)-[3-[[cyclopentylcarbamoyl-(2-naphthylsulfonylamino)amino]methyl]piperidino]methylene]carbamic acid tert-butyl ester Formula: C33H48N6O7S MolecularWeight: 672.83522

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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)NC2CCCC2)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)NC2CCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C33H48N6O7S/c1-32(2,3)45-30(41)35-28(36-31(42)46-33(4,5)6)38-19-11-12-23(21-38)22-39(29(40)34-26-15-9-10-16-26)37-47(43,44)27-18-17-24-13-7-8-14-25(24)20-27/h7-8,13-14,17-18,20,23,26,37H,9-12,15-16,19,21-22H2,1-6H3,(H,34,40)(H,35,36,41,42)