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

Systemtic Name: tert-butyl (NE)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-[3-[[(naphthalen-2-ylsulfonylamino)-piperidin-1-ylcarbonyl-amino]methyl]piperidin-1-yl]methylidene]carbamate Openeye Name: tert-butyl (NE)-N-[(tert-butoxycarbonylamino)-[3-[[(2-naphthylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]-1-piperidyl]methylene]carbamate CAS Name: (NE)-N-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[3-[[(2-naphthalenylsulfonylamino)-[oxo(1-piperidinyl)methyl]amino]methyl]-1-piperidinyl]methylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NE)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-[3-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]piperidin-1-yl]methylidene]carbamate Traditional Name: (NE)-N-[(tert-butoxycarbonylamino)-[3-[[(2-naphthylsulfonylamino)-(piperidine-1-carbonyl)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)N2CCCCC2)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)N2CCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C33H48N6O7S/c1-32(2,3)45-29(40)34-28(35-30(41)46-33(4,5)6)38-20-12-13-24(22-38)23-39(31(42)37-18-10-7-11-19-37)36-47(43,44)27-17-16-25-14-8-9-15-26(25)21-27/h8-9,14-17,21,24,36H,7,10-13,18-20,22-23H2,1-6H3,(H,34,35,40,41)